Compound C20H22Br2O2

(8R,9S,13S,14S,17R)-2,4-dibromo-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

CAS: 79769-52-1

Molecular Formula	`C20H22Br2O2`
Molecular Weight	454.2 g/mol
LogP	5.1
Topological Polar Surface Area	40.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	453.9966
Heavy Atoms	24
Complexity	571.0

Chemical Identifiers

CAS Number	79769-52-1
SMILES	`CC12CCC3C(C1CCC2(C#C)O)CCC4=C(C(=C(C=C34)Br)O)Br`
InChIKey	`TVZPJONPQWRVQV-QEIBRJLASA-N`

📖 Product Overview

Compound C20H22Br2O2 (CAS: 79769-52-1) is a chemical compound with molecular formula C20H22Br2O2 and molecular weight 454.2 g/mol. Its IUPAC systematic name is (8R,9S,13S,14S,17R)-2,4-dibromo-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. LogP 5.1 Topological Polar Surface Area 40.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 1 Exact Mass 453.9966 Heavy Atoms 24 Complexity 571.0 InChI Key: TVZPJONPQWRVQV-QEIBRJLASA-N. SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C(C(=C(C=C34)Br)O)Br.

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