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Home> Encyclopedia > Hot Product Listed A   > Astragaloside IV
84687-43-4 structure

Astragaloside IV

Iupac Name:(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS No.:84687-43-4
EINECS(EC#): 617-610-3
Molecular Weight:784.981
Molecular Formula:C41H68O14 (isomer)
Names and Identifiers
Synonyms

(2R,3R,4S,5S,6R)-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (S)-Amlodipine Besylate (103129-82-4(free base)) 1J6XA9YCFV 3-O-beta-D-xylopyranosyl-6-O-beta-D-glucopyranosylcycloastragenol 83207-58-3 84687-43-4 846A434 9,19-CYCLOLANOSTANE-BETA-D-GLUCOPYRANOSIDE A-674563 HCl (552325-73-2(free base)) AB0033838 AKOS025311424 Arg-Gly-Asp TFA (99896-85-2(free base)) AS-19402 ASTRAGALOSIDE Astragaloside A Astragaloside IV, >98.0% Astragaloside IV, European Pharmacopoeia (EP) Reference Standard Astragaloside IV, United States Pharmacopeia (USP) Reference Standard Astragaloside, 98%, from Astragalus membranaceus (Fisch.) Bunge. Astrasieversianin XIV Astraversianin XIV b-D-Glucopyranoside, (3b,6a,16b,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(b-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl beta-D-Glucopyranoside, (3beta,6alpha,16beta,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl BPR1J-097 hydrochloride (1327167-19-0(free base)) C17799 CHEBI:65457 CHEMBL3121562 Cyclosieversioside F Cyclosiversioside F EBD11477 HY-N0431 K514 MFCD16036240 n-benzyloxycarbonyl-1-aminocyclopropanecarboxylic acid ST24045986 TA-65 UNII-1J6XA9YCFV X7614 ZINC238809356

Inchi
InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,37?,38-,39+,40-,41+/m0/s1
InChkey
QMNWISYXSJWHRY-IYLVSKNASA-N
Canonical Smiles
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C
Isomers Smiles
C[C@]12CCC34C[C@@]35CCC(C(C5[C@@H](CC4[C@@]1(C[C@H]([C@@H]2[C@]6(CC[C@H]
(O6)C(C)(C)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)O
[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O
Properties
Appearance
hydroscopic brown or yellow powder
Density
1.39
Melting Point
295-296℃
Boiling Point
895.7 °C at 760 mmHg
Refractive Index
1.62
Flash Point
895.7 °C at 760 mmHg
Solubility
Transport Information: OTH
Hazard Symbols:UN NO.
particular:particular
HS Code
29389090
Safety and Handling
Safety Statements
S22;S24/25
Safety
Safety Statements:22-24/25
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
Specification

The Astragaloside IV, with its cas register number 84687-43-4, has other names as 9,19-cyclolanostane-beta-d-glucopyranoside; astragaloside; astragalosideiv/ch83947; astragalosideiv/ch90651; astrasieversianin xiv; astragaloside iv; 20,24-epoxy-16,25-dihydroxy-3-(β-d-; xylopyranosyloxy)-9,19-cyclolanostan-6-yl.

The characteristics of this chemical are as below: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)#H bond acceptors: 14; (6)#H bond donors: 9; (7)#Freely Rotating Bonds: 16; (8)Polar Surface Area: 228.22; (9)Index of Refraction: 1.62; (10)Molar Refractivity: 197.78 cm3; (11)Molar Volume: 562.5 cm3; (12)Polarizability: 78.4× 10-24 cm3; (13)Surface Tension: 70.9 dyne/cm; (14)Density: 1.39 g/cm3; (15)Flash Point: 495.5 °C; (16)Enthalpy of Vaporization: 147.85 kJ/mol; (17)Boiling Point: 895.7 °C at 760 mmHg.

This is a kind of brownish yellow powder. And it is the quality control components in the herbal medicine Astragalus Membranaceus, and it has the function of improving immunity of the organism, clear the free radical, protect the cardiocytes, strengthen the myocardium, deduce the myocardial ischemia, resist the cardiac failure, and so on.

When using this chemical, you should be very cautious. Do not breathe dust and try to avoid contacting with skin and eyes. As to its product categories, there are various, including sugars, carbohydrates & glucosides; the group of astralosides; a; alphabetic; AR to AZ.

Additionally, you could convert the following data information to obtain the molecular structure:
(1)SMILES:O[C@H]8[C@H](O[C@H]3CC[C@@]27C[C@@]47CC[C@]5(C)[C@H]([C@@H](O)C[C@@]5(C)C4C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2C3(C)C)[C@@]6(C)CC[C@H](O6)C(C)(C)O)OC[C@@H](O)[C@@H]8O
(2)InChI:InChI=1/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23?,24-,25-,26-,27+,28-,29+,30+,31-,32?,33-,34+,37+,38-,39+,40-,41+/m0/s1
(3)InChIKey:QMNWISYXSJWHRY-XWJCTJPOBO

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:784.981g/mol
  • Molecular Formula:C41H68O14
  • Compound Is Canonicalized:True
  • Exact Mass:784.461
  • Monoisotopic Mass:784.461
  • Complexity:1460
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:9
  • Hydrogen Bond Acceptor Count:14
  • Topological Polar Surface Area:228A^2
  • Heavy Atom Count:55
  • Defined Atom Stereocenter Count:20
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB8PAAAAAAAAAAAAAAAGAAAAaIAAAA0aMECBgAAAGDAAAAAGgAACAAAD1SwgAMCCAAABgAA AAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHA4PwPgAAAAAAAAADAAAYAADAAAYAADAAA AA==
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