CCRIS 5841

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

CAS: 61665-15-4

Molecular Formula	`C21H26O3`
Molecular Weight	326.4 g/mol
LogP	3.0
Topological Polar Surface Area	49.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	326.1882
Heavy Atoms	24
Complexity	551.0

Chemical Identifiers

CAS Number	61665-15-4
SMILES	`CC12CC(C3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O)OC`
InChIKey	`MTMZZIPTQITGCY-QHOCJJNXSA-N`

📖 Product Overview

CCRIS 5841 (CAS: 61665-15-4) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.4 g/mol. Its IUPAC systematic name is (8S,9S,11R,13S,14S,17R)-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. LogP 3.0 Topological Polar Surface Area 49.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 326.1882 Heavy Atoms 24 Complexity 551.0 InChI Key: MTMZZIPTQITGCY-QHOCJJNXSA-N. SMILES: CC12CC(C3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O)OC.

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