Compound C41H66O13

4-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one

CAS: 3786-76-3

Molecular Formula	`C41H66O13`
Molecular Weight	767.0 g/mol
LogP	3.3
Topological Polar Surface Area	183.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	7
Exact Mass	766.4503
Heavy Atoms	54
Complexity	1350.0

Chemical Identifiers

CAS Number	3786-76-3
SMILES	`CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8CC(=O)OC8)O)C)C)C)C)O)O`
InChIKey	`WWCGMGNIMDOEGK-BYMUNCBLSA-N`

📖 Product Overview

Compound C41H66O13 (CAS: 3786-76-3) is a chemical compound with molecular formula C41H66O13 and molecular weight 767.0 g/mol. Its IUPAC systematic name is 4-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one. LogP 3.3 Topological Polar Surface Area 183.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 13 Rotatable Bonds 7 Exact Mass 766.4503 Heavy Atoms 54 Complexity 1350.0 InChI Key: WWCGMGNIMDOEGK-BYMUNCBLSA-N. SMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8CC(=O)OC8)O)C)C)C)C)O)O.

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