rel-(3aR,6E,10R,11aS)-3a,4,5,8,9,10,11,11a-Octahydro-9-hydroxy-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one

Iupac Name：(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

CAS No.：83-46-5

Molecular Weight：414.71

Request For Quotation

1. Names and Identifiers

1.1 Name: rel-(3aR,6E,10R,11aS)-3a,4,5,8,9,10,11,11a-Octahydro-9-hydroxy-3,6,10-trimethylcyclodeca[b]furan-2(3H)-one
1.2 Synonyms: 4βH-Germacr-1(10)-en-12-oic acid, 3,6α-dihydroxy-, γ-lactone Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,10,11,11a-octahydro-9-hydroxy-3,6,10-trimethyl-, (3aR,6E,10R,11aS)-rel-

1.3 CAS No.: 83-46-5

1.4 CID: 222284

1.5 Molecular Formula: C₆H₇N₃O₂ (isomer)

1.6 Inchi: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1

1.7 InChkey: KZJWDPNRJALLNS-VJSFXXLFSA-N

1.8 Canonical Smiles: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C

1.9 Isomers Smiles: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

2. Properties

3.1 Melting point: 136-140 °C(lit.)

3.1 Refractive index: 1.5000 (estimate)

3.1 Vapour pressure: 3.53E-12mmHg at 25°C

3.1 Precise Quality: 428.40200

3.1 PSA: 20.23000

3.1 logP: 8.41490

3. Safety and Handling

4.1 Symbol: GHS06, GHS08

4.1 Signal Word: Danger

4.1 Risk Statements: 22-38-40-48/20/22-36/37/38-67-36/38-20-63

4.1 Safety Statements: 22-24/25-36-26-36/37

4.1 Hazard Declaration: H302-H315-H319-H331-H336-H351-H361d-H372

4.1 RIDADR: UN 1888 6.1/PG 3

4.1 Caution Statement: P201-P261-P304 + P340 + P312-P305 + P351 + P338-P308 + P313-P403 + P233

4.1 WGK Germany: 3

4.1 RTECS: WJ2600000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

View all

5. Computational chemical data

Molecular Weight：414.71g/mol
Molecular Formula：C_₆H_₇N_₃O_₂
Compound Is Canonicalized：True
XLogP3-AA：9.3
Exact Mass：414.386166214
Monoisotopic Mass：414.386166214
Complexity：634
Rotatable Bond Count：6
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：20.2
Heavy Atom Count：30
Defined Atom Stereocenter Count：9
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

6. Recommended Suppliers

Global294SuppliersView all >>

Hebei Crovell Biotech Co. Ltd Diamond member

2YRS

Products:Cosmetic Raw Materials,solvents,etc.
Tel:86-311-66562153
Email:breeduan@crovellbio.com

High quality beta-Sitosterol/Phytosterol CAS 83-46-5

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kilogram
Time: 2022/05/05

Inquire

Hebei Bonster Technology Co., Limited Diamond member

2YRS

Products:MK677, LGD4033 etc Sarms, HGH peptide,Nootropics,Tianeptine sodium, CBD oil, cannabidiol powder,Sildenafil Viagra powder, Tadalafil cialis powder, steroids etc
Tel:0086-311-15511698343
Email:anny@bsterltd.com

Phytosterol Soybean Extract Beta Sitosterol/Beta-Sitosterol-Powder/Beta-Sitosterol Powder

Purity:99%Packing: 200kg/bag FOB
Price: 0.01 USD/g
Time: 2022/05/23

Inquire

Hangzhou Dayangchem Co., Ltd. Diamond member

11YRS

Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@chinadayangchem.com

beta-Phytosterol

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2022/04/28

Inquire

Jinlan Pharm-Drugs Technology Co., Limited Diamond member

9YRS

Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
Tel:86-571-85829052
Email:market@royalpharms.com

beta-Sitosterol

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kilogram
Time: 2022/05/13

Inquire

Wuhan Fortuna Chemical Co., Ltd. Diamond member

9YRS

Products:API
Tel:0086-27-59207850
Email:info@fortunachem.com

beta-Sitosterol CAS 83-46-5

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2022/05/23

Inquire