ESTRA-1,3,5(10)-TRIEN-17-beta-OL, 17-alpha-BUTADIYNYL-3-METHOXY-

(8R,9S,13S,14S,17S)-17-buta-1,3-diynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

CAS: 1986-48-7

Molecular Formula	`C23H26O2`
Molecular Weight	334.4 g/mol
LogP	4.4
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	334.19327
Heavy Atoms	25
Complexity	645.0

Chemical Identifiers

CAS Number	1986-48-7
SMILES	`CC12CCC3C(C1CCC2(C#CC#C)O)CCC4=C3C=CC(=C4)OC`
InChIKey	`KCPKOXKPGXIJGK-VROINQGHSA-N`

📖 Product Overview

ESTRA-1,3,5(10)-TRIEN-17-beta-OL, 17-alpha-BUTADIYNYL-3-METHOXY- (CAS: 1986-48-7) is a chemical compound with molecular formula C23H26O2 and molecular weight 334.4 g/mol. Its IUPAC systematic name is (8R,9S,13S,14S,17S)-17-buta-1,3-diynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol. LogP 4.4 Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 3 Exact Mass 334.19327 Heavy Atoms 25 Complexity 645.0 InChI Key: KCPKOXKPGXIJGK-VROINQGHSA-N. SMILES: CC12CCC3C(C1CCC2(C#CC#C)O)CCC4=C3C=CC(=C4)OC.

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