DTXSID00951083

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

CAS: 2842-86-6

Molecular Formula	`C25H34O6`
Molecular Weight	430.5 g/mol
LogP	2.3
Topological Polar Surface Area	89.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	430.23553
Heavy Atoms	31
Complexity	862.0

Chemical Identifiers

CAS Number	2842-86-6
SMILES	`CC(=O)OC1CCC2(C(C1)CCC3C2CC(=O)C4(C3(CCC4C5=CC(=O)OC5)O)C)C`
InChIKey	`SZLQWLYPPPPWKF-GEVRZZSESA-N`

📖 Product Overview

DTXSID00951083 (CAS: 2842-86-6) is a chemical compound with molecular formula C25H34O6 and molecular weight 430.5 g/mol. Its IUPAC systematic name is [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-12-oxo-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate. LogP 2.3 Topological Polar Surface Area 89.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 430.23553 Heavy Atoms 31 Complexity 862.0 InChI Key: SZLQWLYPPPPWKF-GEVRZZSESA-N. SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CC(=O)C4(C3(CCC4C5=CC(=O)OC5)O)C)C.

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