5,25-Stigmastadienol
Basic information
- CAS
2364-23-0- Standard SMILES
C=C(C)C(CC)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C- InChIKey
GHGKPLPBPGYSOO-UHFFFAOYSA-N- Molecular formula
- C29H48O
- Average molar mass
- 412.7 g/mol
- Monoisotopic mass
- 412.37051615
Overview
Stigmasta-5,25-dien-3-ol has been reported in Oryza sativa and Phellodendron chinense with data available.
Names & identifiers
- Preferred name
- 5,25-Stigmastadienol
- IUPAC
- 17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- English name
- Clerosterol
- Molecular formula
- C29H48O
- Molecular weight
- 412.69
Names & synonyms
stigmasta-5,25-dien-3-ol5,25-StigmastadienolNSC144945Delta5,23 StigmastadienolPoriferasta-5,25-dien-3-olDTXSID80946457NSC-144945(-)-(3beta,24S)-Stigmasta-5,25-dien-3-olClerosterol(-)-Clerosterol(24S)-Stigmasta-5,25-diene-3β-olStigmasta-5,25-dien-3-ol,(3b,24S)-
Show more names
Stigmasta-5,25-dien-3-ol, (3β,24S)-(24S)-25,26-Didehydro-24-ethylcholesterol(24S)-24-Ethylcholesta-5,25(27)-diene-3β-ol(3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S)-5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Database identifiers
- CAS
2364-23-0- PubChem CID
- 286499
- DTXSID
DTXSID80946457
Properties
Computed structural properties
- XLogP
- 9.3
- 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 Point147 °C
Physical DescriptionSolid
Physicochemical properties
- solubility
- THF: soluble
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
Uses(-)-Clerosterol is a natural product that can be isolated from Codium fragile[1].
Additional notes
DefinitionChEBI: Clerosterol is a steroid. It derives from a hydride of a stigmastane.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…