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

CAS: 3604-87-3

Molecular Formula	`C27H44O6`
Molecular Weight	464.6 g/mol
LogP	1.7
Topological Polar Surface Area	118.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	464.31378
Heavy Atoms	33
Complexity	821.0

Chemical Identifiers

CAS Number	3604-87-3
SMILES	`CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O`
InChIKey	`UPEZCKBFRMILAV-JMZLNJERSA-N`

📖 Product Overview

(2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (CAS: 3604-87-3) is a chemical compound with molecular formula C27H44O6 and molecular weight 464.6 g/mol. Its IUPAC systematic name is (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one. LogP 1.7 Topological Polar Surface Area 118.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 464.31378 Heavy Atoms 33 Complexity 821.0 InChI Key: UPEZCKBFRMILAV-JMZLNJERSA-N. SMILES: CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one.

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