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Basic information
- CAS
1059-86-5- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1- InChIKey
ACGNVBRAISEVDK-RPIQFHTISA-N- Molecular formula
- C29H46O2
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.34978071
Names & identifiers
- Preferred name
- Cholesta-5,7-dien-3beta-yl acetate
- IUPAC
- [(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- English name
- 7-Dehydrocholesterol acetate
- Molecular formula
- C29H46O2
- Molecular weight
- 426.67
Names & synonyms
Cholesta-5,7-dien-3beta-yl acetateRefChem:9185227-Dehydrocholesterol acetate7-Dehydrocholesteryl acetate1059-86-5NSC 226869(3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetateCholest-5,7-dien-3beta-yl acetateCholesta-5,7-dien-3-beta-yl acetate3beta-Acetoxychoesta-5,7-dieneCholesta-5,7-dien-3beta-ol acetateCholesta-5,7-dien-3.beta.-ol, acetate
Show more names
Cholest-5,7-dien-3beta-yl3β-Acetoxychoesta-5,7-diene3β-Acetoxy-5,7-cholestadieneCholesta-5,7-dien-3-yl acetate
Cholesta-5,7-dien-3-ol, acetate, (3.beta.)-EINECS 213-896-5BRN 32243913.beta.-Acetoxychoesta-5,7-dieneCholesta-5,7-dien-3-ol, acetate, (3beta)Cholest-5,7-dien-3.beta.-yl acetateCholesta-5,7-dien-3.beta.-yl acetate(1R,3aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
Properties
Computed structural propertiesFilling in
- XLogP
- 8.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 746
Physicochemical properties
- Melting point
- 129.5 °C · 129.5°C
- Boiling point
- 482.07 °C · 482.07°C (rough estimate)
- Density
- 1.0041 · 1.0041 (rough estimate)
- refractive index
- 1.5045 · 1.5045 (estimate)
- storage temp.
- -20 °C, · -20°C, protect from light, stored under nitrogen
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- Pale Beige
Chemistry & industry
Applications
Uses7,8-Didehydrocholesterol Acetate is an intermediate in the synthesis of Zymostenol, which is the derivative of Zymosterol (Z701520), an sterol intermediate in the biosynthesis of cholesterol (C432501).
Suppliers18 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
上海科骊科生物技术有限公司021-34975789 18721102763 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Aktin Chemicals, Inc.028-85159085 · [email protected]
Shenzhen Excellent Biotech Co., Ltd.13480692018 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳市丽晶生化科技有限公司
Related reactions
1 records
Compound notes
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