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(13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 3-phenylpropanoate
SpectraBase Compound ID 5OxRoYoyTLw
InChI InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3
InChIKey UBWXUGDQUBIEIZ-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C27H34O3
Exact Mass 406.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CchruBrOKKd
Name ESTR-4-ENE-17.BETA.-OL-3-ONE(17.BETA.-PHENYLPROPIONATE)
Alternate Name(s) 3-OXOESTR-4-EN-17-YL 3-PHENYLPROPANOATE
CAS Registry Number 62-90-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H34O3
InChI InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3
InChIKey UBWXUGDQUBIEIZ-UHFFFAOYSA-N
Nominal Mass 406 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES CC12C(OC(=O)CCc3ccccc3)CCC1C1CCC3=CC(CCC3C1CC2)=O
SPLASH splash10-0a4i-3290100000-8ffab1e1534c83392b12
Source File Reference LMCM-30682-189Y
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK