DTXSID40975384

[(3S,5R,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-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-3-yl] acetate

CAS: 5996-03-2

Molecular Formula	`C27H38O7`
Molecular Weight	474.6 g/mol
LogP	2.5
Topological Polar Surface Area	99.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	474.26175
Heavy Atoms	34
Complexity	926.0

Chemical Identifiers

CAS Number	5996-03-2
SMILES	`CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)OC(=O)C)O)C)C`
InChIKey	`ANNNOIZFDGPVNC-UZGQUCAOSA-N`

📖 Product Overview

DTXSID40975384 (CAS: 5996-03-2) is a chemical compound with molecular formula C27H38O7 and molecular weight 474.6 g/mol. Its IUPAC systematic name is [(3S,5R,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-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-3-yl] acetate. LogP 2.5 Topological Polar Surface Area 99.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 474.26175 Heavy Atoms 34 Complexity 926.0 InChI Key: ANNNOIZFDGPVNC-UZGQUCAOSA-N. SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)OC(=O)C)O)C)C.

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