For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Methoxy-17-oxoestra-1(10),2,4-trien-2-yl acetate
SpectraBase Compound ID GJlqwxKE9zF
InChI InChI=1S/C21H26O4/c1-12(22)25-19-11-16-13(10-18(19)24-3)4-5-15-14(16)8-9-21(2)17(15)6-7-20(21)23/h10-11,14-15,17H,4-9H2,1-3H3
InChIKey ZJWLQGYTGUKBPO-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3NSt1FyzVmv
Name 3-Methoxy-17-oxoestra-1(10),2,4-trien-2-yl acetate
CAS Registry Number 77883-33-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-12(22)25-19-11-16-13(10-18(19)24-3)4-5-15-14(16)8-9-21(2)17(15)6-7-20(21)23/h10-11,14-15,17H,4-9H2,1-3H3
InChIKey ZJWLQGYTGUKBPO-UHFFFAOYSA-N
Molecular Weight 342.435 g/mol
SMILES CC(=O)Oc1cc2c(cc1OC)CCC1C2CCC2(C)C1CCC2=O
SPLASH splash10-03fr-0239000000-f120de264d5dada3650f
Source of Spectrum W5-0-0-0
Synonyms (3-methoxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl) ethanoate (3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl) acetate Acetic acid (17-keto-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl) ester Acetic acid (3-methoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-yl) ester Estra-1,3,5(10)-trien-17-one, 2-(acetyloxy)-3-methoxy-
Wiley ID 1336785