3-Chlorostigmast-5-ene
Basic information
- CAS
33999-15-4- Standard SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C- InChIKey
IMWQDSKRNHVSQV-VJSFXXLFSA-N- Molecular formula
- C29H49Cl
- Average molar mass
- 433.1 g/mol
- Monoisotopic mass
- 432.3522793
Names & identifiers
- Preferred name
- 3-Chlorostigmast-5-ene
- IUPAC
- (3S,8S,9S,10R,13R,14S,17R)-3-chloro-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]phenanthrene
- English name
- 3-chlorostigmast-5-ene
- Molecular weight
- 0
Names & synonyms
3-Chlorostigmast-5-eneSitosteryl beta-chloride33999-15-4DTXSID30955579RefChem:935453-chloro-stigmast-5-eneDTXCID7013835693beta-Chlorostigmast-5-ene(3S,8S,9S,10R,13R,14S,17R)-3-chloro-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]phenanthreneSCHEMBL26012022(24r)-3b-chlorostigmast-5-eneStigmast-5-ene, 3-chloro-, (3beta)-
Show more names
SITOSTERYLBETA-CHLORIDE
Database identifiers
- CAS
33999-15-4- PubChem CID
- 5489082
- DTXSID
DTXSID30955579- Nikkaji
- J590.355F
Properties
Computed structural properties
- XLogP
- 10.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 634
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Compound notes
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