Zymosterol acetate
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Basic information
- CAS
2579-07-9- Standard SMILES
CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1)[C@@H]1CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3- InChIKey
ICNJVDYAAWEPCH-UNXDECLESA-N- Molecular formula
- C29H46O2
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.34978071
Overview
RN given refers to (3beta,5alpha)-isomer
Names & identifiers
- Preferred name
- Zymosterol acetate
- IUPAC
- [(3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- English name
- [(3S,5S,10S,13S,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-y l]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthr en-3-yl] acetate
- Molecular formula
- C29H46O2
- Molecular weight
- 426.68
Names & synonyms
Zymosterol acetate2579-07-9Cholesta-8,24-dien-3-ol, acetate, (3beta,5alpha)-RefChem:196297Cholesta-8,24-dien-3-yl acetate, (3.beta.,5.alpha.)-[(3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateSCHEMBL7764532DTXSID80948693ICNJVDYAAWEPCH-UNXDECLESA-NCholesta-8,24-dien-3-yl acetate5alpha-Cholesta-8,24-dien-3beta-yl acetate[(3S,5S,10S,13S,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-y l]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthr en-3-yl] acetate
Show more names
Cholesta-8,24-dien-3-ol acetate5α-Cholesta-8,24-dien-3β-ol acetate
Properties
Computed structural propertiesFilling in
- XLogP
- 8.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Boiling point
- 495.965 · 495.965±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.013 · 1.013±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
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Compound notes
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