Compound C29H44O9

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

CAS: 88195-69-1

Molecular Formula	`C29H44O9`
Molecular Weight	536.7 g/mol
Topological Polar Surface Area	146.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	3
Exact Mass	536.2985
Heavy Atoms	38
Complexity	1000.0

Chemical Identifiers

CAS Number	88195-69-1
SMILES	`CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)O)O)O`
InChIKey	`RAWRNCRYFFPACC-LQSKBQQUSA-N`

📖 Product Overview

Compound C29H44O9 (CAS: 88195-69-1) is a chemical compound with molecular formula C29H44O9 and molecular weight 536.7 g/mol. Its IUPAC systematic name is 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. Topological Polar Surface Area 146.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 9 Rotatable Bonds 3 Exact Mass 536.2985 Heavy Atoms 38 Complexity 1000.0 InChI Key: RAWRNCRYFFPACC-LQSKBQQUSA-N. SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C)O)O)O.

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