enoxolone

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid

CAS: 471-53-4

Molecular Formula	`C30H46O4`
Molecular Weight	470.7 g/mol
LogP	6.4
Topological Polar Surface Area	74.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	470.3396
Heavy Atoms	34
Complexity	965.0

Chemical Identifiers

CAS Number	471-53-4
SMILES	`CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C`
InChIKey	`MPDGHEJMBKOTSU-YKLVYJNSSA-N`

📖 Product Overview

enoxolone (CAS: 471-53-4) is a chemical compound with molecular formula C30H46O4 and molecular weight 470.7 g/mol. Its IUPAC systematic name is (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid. LogP 6.4 Topological Polar Surface Area 74.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 470.3396 Heavy Atoms 34 Complexity 965.0 InChI Key: MPDGHEJMBKOTSU-YKLVYJNSSA-N. SMILES: CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C.

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