Estradiol-2,3-quinone

(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3-dione

CAS: 42261-16-5

Molecular Formula	`C18H22O3`
Molecular Weight	286.4 g/mol
LogP	1.8
Topological Polar Surface Area	54.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	0
Exact Mass	286.1569
Heavy Atoms	21
Complexity	585.0

Chemical Identifiers

CAS Number	42261-16-5
SMILES	`CC12CCC3C(C1CCC2O)CCC4=CC(=O)C(=O)C=C34`
InChIKey	`LBSRSXWOMYPVBY-XSSYPUMDSA-N`

📖 Product Overview

Estradiol-2,3-quinone (CAS: 42261-16-5) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.4 g/mol. Its IUPAC systematic name is (8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3-dione. LogP 1.8 Topological Polar Surface Area 54.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 0 Exact Mass 286.1569 Heavy Atoms 21 Complexity 585.0 InChI Key: LBSRSXWOMYPVBY-XSSYPUMDSA-N. SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=O)C(=O)C=C34.

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