(3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol
Basic information
- CAS
21490-23-3- Standard SMILES
C/C=C(\CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC21C)C(C)C- InChIKey
LPZCCMIISIBREI-GZIVZEMBSA-N- Molecular formula
- C30H50O
- Average molar mass
- 426.7 g/mol
- Monoisotopic mass
- 426.38616621
Overview
(3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol is a steroid. It derives from a hydride of a stigmastane.
Names & identifiers
- Preferred name
- (3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-ol
- IUPAC
- 4,10,13-trimethyl-17-[(E)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
(3beta,4beta,5alpha,24Z)-4-Methylstigmasta-7,24(28)-dien-3-olCHEBI:1754234,10,13-trimethyl-17-[(E)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Database identifiers
- CAS
21490-23-3- PubChem CID
- 6284067
- ChEBI
CHEBI:175423
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 716
Experimental & physicochemical properties
Melting Point165 °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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