Basic information
- CAS
6785-58-6- Standard SMILES
C=C(C)C(CC)CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C- InChIKey
CMQUSRGUOMCHOZ-UHFFFAOYSA-N- Molecular formula
- C29H48O
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.37051615
Overview
14-(5-ethyl-6-methylhept-6-en-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol is a steroid. It derives from a hydride of a stigmastane.
Names & identifiers
- Preferred name
- (3beta,5alpha,24S)-Stigmasta-7,25-dien-3-ol
- IUPAC
- 17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
(3beta,5alpha,24S)-Stigmasta-7,25-dien-3-ol14-(5-ethyl-6-methylhept-6-en-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol5.alpha.-Stigmasta-7,25-dien-3.beta.-olStigmasta-7,25-dien-3-ol, (3.beta.,5.alpha.)-delta-7,25-StigmastadienolCHEBI:17303317-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Database identifiers
- CAS
6785-58-6- PubChem CID
- 623142
- ChEBI
CHEBI:173033
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 676
Experimental & physicochemical properties
Melting Point135 - 142 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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