Estradiol-3-benzoate-17-butyrate

[(8R,9S,13S,14S,17S)-17-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate

CAS: 63042-18-2

Molecular Formula	`C29H34O4`
Molecular Weight	446.6 g/mol
LogP	5.9
Topological Polar Surface Area	52.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	446.2457
Heavy Atoms	33
Complexity	712.0

Chemical Identifiers

CAS Number	63042-18-2
SMILES	`CCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C`
InChIKey	`MKYFGNOOEKZNPW-ZRJUGLEFSA-N`

📖 Product Overview

Estradiol-3-benzoate-17-butyrate (CAS: 63042-18-2) is a chemical compound with molecular formula C29H34O4 and molecular weight 446.6 g/mol. Its IUPAC systematic name is [(8R,9S,13S,14S,17S)-17-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate. LogP 5.9 Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 446.2457 Heavy Atoms 33 Complexity 712.0 InChI Key: MKYFGNOOEKZNPW-ZRJUGLEFSA-N. SMILES: CCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C.

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