DTXSID90981551

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

CAS: 63979-65-7

Molecular Formula	`C27H38O7`
Molecular Weight	474.6 g/mol
LogP	2.0
Topological Polar Surface Area	110.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	474.26175
Heavy Atoms	34
Complexity	913.0

Chemical Identifiers

CAS Number	63979-65-7
SMILES	`CCCC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O`
InChIKey	`HZBREJKEAKBQLC-RHEGXVRHSA-N`

📖 Product Overview

DTXSID90981551 (CAS: 63979-65-7) is a chemical compound with molecular formula C27H38O7 and molecular weight 474.6 g/mol. Its IUPAC systematic name is [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate. LogP 2.0 Topological Polar Surface Area 110.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 6 Exact Mass 474.26175 Heavy Atoms 34 Complexity 913.0 InChI Key: HZBREJKEAKBQLC-RHEGXVRHSA-N. SMILES: CCCC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O.

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