3-Formylgitaloxigenin

[(3S,5R,10S,13R,14S,16S,17R)-16-formyloxy-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] formate

CAS: 1256-58-2

Molecular Formula	`C25H34O7`
Molecular Weight	446.5 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	446.23044
Heavy Atoms	32
Complexity	838.0

Chemical Identifiers

CAS Number	1256-58-2
SMILES	`CC12CCC(CC1CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)OC=O)O)C)OC=O`
InChIKey	`AISBGAJDNGFBRL-KMESBTIVSA-N`

📖 Product Overview

3-Formylgitaloxigenin (CAS: 1256-58-2) is a chemical compound with molecular formula C25H34O7 and molecular weight 446.5 g/mol. Its IUPAC systematic name is [(3S,5R,10S,13R,14S,16S,17R)-16-formyloxy-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] formate. LogP 2.5 Topological Polar Surface Area 99.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 5 Exact Mass 446.23044 Heavy Atoms 32 Complexity 838.0 InChI Key: AISBGAJDNGFBRL-KMESBTIVSA-N. SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)OC=O)O)C)OC=O.

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