Basic information
- CAS
15459-85-5- Standard SMILES
CC(C)CCCC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC21C- InChIKey
FLRPNSKUGCVRRB-UHFFFAOYSA-N- Molecular formula
- C27H44O
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 384.33921602
Names & identifiers
- Preferred name
- (5-alpha)-Cholest-7-EN-3-one
- IUPAC
- 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- Lathosterone
- Molecular formula
- C27H44O
- Molecular weight
- 384.64
Names & synonyms
(5-ALPHA)-CHOLEST-7-EN-3-ONE29374-80-9NSC157921DTXSID00935020NSC-1579215|A-Cholesten-(7)-on-(3); 5|A-cholest-7-en-3-one; 5|A-Cholest-7-en-3-on; 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one; Cholest-7-en-3-on;Lathosterone5α-Cholest-7-en-3-one7, (5α)-CHOLESTEN-3-ONECholest-7-en-3-one, (5α)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Database identifiers
- CAS
15459-85-5、29374-80-9- PubChem CID
- 27296
- DTXSID
DTXSID00935020
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 630
Experimental & physicochemical properties
Melting Point148 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Upstream & downstream products
Downstream products
Suppliers5 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Additional notes
DefinitionChEBI: A cholestanoid that is 5alpha-cholest-7-ene substituted at position 3 by an oxo group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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