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

*Links on SpectraBase are not permalinks.
Estra-1(10),5-dien-17-one, 3-[(trifluoroacetyl)oxy]-, (3.beta.)-
SpectraBase Compound ID 7j84GBCA1Oj
InChI InChI=1S/C20H23F3O3/c1-19-9-8-14-13-5-3-12(26-18(25)20(21,22)23)10-11(13)2-4-15(14)16(19)6-7-17(19)24/h2,5,12,14-16H,3-4,6-10H2,1H3/t12-,14?,15?,16?,19-/m0/s1
InChIKey MFVDZEZJCMUHQA-SQPXQKSKSA-N
Mol Weight 368.4 g/mol
Molecular Formula C20H23F3O3
Exact Mass 368.159929 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 A2kdCmaMwGj
Name Estra-1(10),5-dien-17-one, 3-[(trifluoroacetyl)oxy]-, (3.beta.)-
Alternate Name(s) (3beta)-17-oxoestra-1(10),5-dien-3-yl trifluoroacetate 17-oxo-19-norandrost-1(10),5-dien-3.beta.-yl trifluoroacetate
CAS Registry Number 116202-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23F3O3
InChI InChI=1S/C20H23F3O3/c1-19-9-8-14-13-5-3-12(26-18(25)20(21,22)23)10-11(13)2-4-15(14)16(19)6-7-17(19)24/h2,5,12,14-16H,3-4,6-10H2,1H3/t12-,14?,15?,16?,19-/m0/s1
InChIKey MFVDZEZJCMUHQA-SQPXQKSKSA-N
Molecular Weight 368.396 g/mol
SMILES C=12C(=CCC3C4CCC([C@]4(CCC23)C)=O)C[C@@](OC(C(F)(F)F)=O)(CC1)[H]
SPLASH splash10-0udi-0792000000-f82051eae65b6e53a4d4
Source of Spectrum KC-1990-2202-13
Wiley ID 1352994