Ginsenoside Rb1

Iupac Name：2-[[6-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

CAS No.: 41753-43-9

Molecular Weight：1109.307

Modify Date.: 2022-10-28 09:16

Introduction: A major bioactive component of panax ginseng that promotes neurotransmitter release by modulating phosphorylation of synapsins through a cAMP-dependent protein kinase pathway. It has been reported to display immunostimulatory and anticancer effects. View more+

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1. Names and Identifiers

1.1 Name: Ginsenoside Rb1
1.2 Synonyms: (3beta,12beta)-20-[(6-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl2-o-beta-d-glucopyranosyl-beta-d-glucopyranoside (3Β,12Β)-20-{[6-O-(Β-D-Glucopyranosyl)-Β-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-Β-D-glucopyranosyl-Β-D-glucopyranoside 2-O-beta-glucopyranosyl-(3beta,12beta)-20-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl-beta-D-glucopyranoside arasaponine1 EINECS 255-532-8 ginseng Rb1 GINSENOSIDE GINSENOSIDE-RB1 Ginsenoside Rb1 (CAS# 41753-43-9) Ginsenoside Rb1 std. GINSENOSIDE RBL GinsenosideRb1 Ginsenoside-Rb1 Ginsenoside-Rb1 from Panax ginseng (Korean ginseng) root ginsenoside-rb1from panax quinquefolium (american ginseng)root ginsinoside Rb1 gynosaponinc GYPENOSIDE Gypenoside I gypenosideiii MFCD00133367 Panaxoside Rb1 panaxsaponine SANCHINOSIDE E1 Β-D-Glucopyranoside, (3Β,12Β)-20-[(6-O-Β-D-glucopyranosyl-Β-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-Β-D-glucopyranosyl-

1.3 CAS No.: 41753-43-9

1.4 CID: 9898279

1.5 EINECS(EC#): 255-532-8

1.6 Molecular Formula: C54H92O23 (isomer)

1.7 Inchi: InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1

1.8 InChkey: GZYPWOGIYAIIPV-JBDTYSNRSA-N

1.9 Canonical Smiles: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C

1.10 Isomers Smiles: CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C

2. Properties

2.1 Density: 1.44

2.1 Melting point: 197.5°C

2.1 Boiling point: 1146°Cat760mmHg

2.1 Refractive index: 1.625

2.1 Flash Point: 646.8°C

2.1 Precise Quality: 1108.60000

2.1 PSA: 377.29000

2.1 logP: -2.20260

2.1 Solubility: methanol: soluble9.80 - 10.20 mg/mL, clear, colorless to faintly yellow

2.2 Color/Form: Powder

2.3 Physical: Solid

2.4 pKa: 12.85±0.70(Predicted)

2.5 Water Solubility: methanol: soluble9.80 - 10.20 mg/mL, clear, colorless to faintly yellow

2.6 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 29 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (86.21%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (86.21%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501

3.2 Usage: A major bioactive component of panax ginseng that promotes neurotransmitter release by modulating phosphorylation of synapsins through a cAMP-dependent protein kinase pathway. It has been reported to display immunostimulatory and anticancer effects.

4. Safety and Handling

4.1 Symbol: GHS07

4.1 Hazard Codes: Xi

4.1 Signal Word: Warning

4.1 Risk Statements: R20/21/22

4.1 Safety Statements: S26;S36

4.1 Hazard Declaration: H302 + H312 + H332

4.1 RIDADR: UN 1230 3/PG 2

4.1 Safety Profile: Poison by intravenous route. Moderately toxic by intraperitoneal route. Mutation data reported. Whenheated to decomposition it emits acrid smoke and irritating fumes. Ginsenoside Rb1 Supplier

4.2 Caution Statement: P261-P280-P301 + P312 + P330

4.2 WGK Germany: 3

4.2 RTECS: LZ5856000

4.2 Toxicity: oms-rat-ipr 50 mg/kg CPBTAL 24,2400,76

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H332 Harmful if inhaled
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

41753-43-9Total: 2 Synthesis Route

88140-34-5 1 Suppliers

41753-43-9 160 Suppliers

Literatures:
Kitagawa; Taniyama; Yoshikawa; Ikenishi; Nakagawa Chemical and Pharmaceutical Bulletin, 1989 , vol. 37, # 11 p. 2961 - 2970
Yield: null

88140-34-5 1 Suppliers

141-82-2 169 Suppliers

41753-43-9 160 Suppliers

Literatures:
Kitagawa; Taniyama; Yoshikawa; Ikenishi; Nakagawa Chemical and Pharmaceutical Bulletin, 1989 , vol. 37, # 11 p. 2961 - 2970
Yield: null

7. Precursor and Product

precursor:

88140-34-5

product :

39262-14-1

8. Other Information

8.0 Uses: Reference standard in the analysis of herbal medicinal products.

8.1 Uses: A major bioactive component of panax ginseng that promotes neurotransmitter release by modulating phosphorylation of synapsins through a cAMP-dependent protein kinase pathway. It has been reported to display immunostimulatory and anticancer effects.

9. Computational chemical data

Molecular Weight: 1109.307g/mol
Molecular Formula: C₅₄H₉₂O₂₃
Compound Is Canonicalized: True
XLogP3-AA: 0.3
Exact Mass: 1108.60293918
Monoisotopic Mass: 1108.60293918
Complexity: 2000
Rotatable Bond Count: 16
Hydrogen Bond Donor Count: 15
Hydrogen Bond Acceptor Count: 23
Topological Polar Surface Area: 377
Heavy Atom Count: 77
Defined Atom Stereocenter Count: 30
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcfB8PgAAAAAAAAAAAAAAAAAAAYAAAAA0aNEiAAAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgCAAiBCAAAAAAAgAAAACAAAAAgREAIAAQAiQAAFgAAPAAPA4PwPgAAAAAAAAADAAAYAADAAAQAACAAAAA==

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Time: 2023/05/30

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Chemical product Ginsenoside Rb1