DTXSID20911508

[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-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-16-yl] formate

CAS: 11014-58-7

Molecular Formula	`C30H44O9`
Molecular Weight	548.7 g/mol
LogP	2.4
Topological Polar Surface Area	132.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	548.2985
Heavy Atoms	39
Complexity	1010.0

Chemical Identifiers

CAS Number	11014-58-7
SMILES	`CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC=O)O)C)C)O)O`
InChIKey	`IOXIBFLACIBMNF-RBRVDKDNSA-N`

📖 Product Overview

DTXSID20911508 (CAS: 11014-58-7) is a chemical compound with molecular formula C30H44O9 and molecular weight 548.7 g/mol. Its IUPAC systematic name is [(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-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-16-yl] formate. LogP 2.4 Topological Polar Surface Area 132.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 5 Exact Mass 548.2985 Heavy Atoms 39 Complexity 1010.0 InChI Key: IOXIBFLACIBMNF-RBRVDKDNSA-N. SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC=O)O)C)C)O)O.

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