ethynodiol

(3S,8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

CAS: 1231-93-2

Molecular Formula	`C20H28O2`
Molecular Weight	300.4 g/mol
LogP	3.1
Topological Polar Surface Area	40.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	300.20892
Heavy Atoms	22
Complexity	555.0

Chemical Identifiers

CAS Number	1231-93-2
SMILES	`CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(CCC34)O`
InChIKey	`JYILPERKVHXLNF-QMNUTNMBSA-N`

📖 Product Overview

ethynodiol (CAS: 1231-93-2) is a chemical compound with molecular formula C20H28O2 and molecular weight 300.4 g/mol. Its IUPAC systematic name is (3S,8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol. LogP 3.1 Topological Polar Surface Area 40.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 1 Exact Mass 300.20892 Heavy Atoms 22 Complexity 555.0 InChI Key: JYILPERKVHXLNF-QMNUTNMBSA-N. SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(CCC34)O.

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