Compound C33H48O10

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

CAS: 100991-79-5

Molecular Formula	`C33H48O10`
Molecular Weight	604.7 g/mol
LogP	2.0
Topological Polar Surface Area	141.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	604.32477
Heavy Atoms	43
Complexity	1150.0

Chemical Identifiers

CAS Number	100991-79-5
SMILES	`CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=COC(=O)C=C6)O)C)COC(=O)C)O)OC)O`
InChIKey	`VVXLGXLIYXVAFC-XUJHSIKGSA-N`

📖 Product Overview

Compound C33H48O10 (CAS: 100991-79-5) is a chemical compound with molecular formula C33H48O10 and molecular weight 604.7 g/mol. Its IUPAC systematic name is [(3S,5R,10R,13R,14S,17R)-3-[(2R,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-10-yl]methyl acetate. LogP 2.0 Topological Polar Surface Area 141.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 7 Exact Mass 604.32477 Heavy Atoms 43 Complexity 1150.0 InChI Key: VVXLGXLIYXVAFC-XUJHSIKGSA-N. SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=COC(=O)C=C6)O)C)COC(=O)C)O)OC)O.

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