[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

CAS: 102281-00-5

Molecular Formula	`C25H36O7`
Molecular Weight	448.5 g/mol
LogP	0.7
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	448.2461
Heavy Atoms	32
Complexity	853.0

Chemical Identifiers

CAS Number	102281-00-5
SMILES	`CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CC(C2(C1C5=CC(=O)OC5)C)O)C)O)O`
InChIKey	`BOMSEUWJUZCEOA-VENYRCEESA-N`

📖 Product Overview

[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate (CAS: 102281-00-5) is a chemical compound with molecular formula C25H36O7 and molecular weight 448.5 g/mol. Its IUPAC systematic name is [(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate. LogP 0.7 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 448.2461 Heavy Atoms 32 Complexity 853.0 InChI Key: BOMSEUWJUZCEOA-VENYRCEESA-N. SMILES: CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CC(C2(C1C5=CC(=O)OC5)C)O)C)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate.

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