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(+-)-3-Methoxy-17-(4-methoxycarbonylphenyl)-16-ketoestra-1,3,5(10),13(17)-tetraene

View entire compound with spectra: 1 MS (GC)

(+-)-3-Methoxy-17-(4-methoxycarbonylphenyl)-16-ketoestra-1,3,5(10),13(17)-tetraene
SpectraBase Compound ID 3HYjVrgFC8E
InChI InChI=1S/C26H26O4/c1-29-18-8-10-19-17(13-18)7-9-21-20(19)11-12-22-23(21)14-24(27)25(22)15-3-5-16(6-4-15)26(28)30-2/h3-6,8,10,13,20-21,23H,7,9,11-12,14H2,1-2H3/t20-,21-,23+/m1/s1
InChIKey MEJXXJOOOFPWDD-XPNTWCBSSA-N
Mol Weight 402.49 g/mol
Molecular Formula C26H26O4
Exact Mass 402.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JonDcJiDPQ5
Name (+-)-3-Methoxy-17-(4-methoxycarbonylphenyl)-16-ketoestra-1,3,5(10),13(17)-tetraene
Alternate Name(s) 4-[(8S,9S,14S)-3-methoxy-16-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]benzoic acid methyl ester Methyl 4-[(8S,9S,14S)-3-methoxy-16-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]benzoate Methyl 4-[(8S,9S,14S)-3-methoxy-16-oxidanylidene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O4
InChI InChI=1S/C26H26O4/c1-29-18-8-10-19-17(13-18)7-9-21-20(19)11-12-22-23(21)14-24(27)25(22)15-3-5-16(6-4-15)26(28)30-2/h3-6,8,10,13,20-21,23H,7,9,11-12,14H2,1-2H3/t20-,21-,23+/m1/s1
InChIKey MEJXXJOOOFPWDD-XPNTWCBSSA-N
Molecular Weight 402.490 g/mol
SMILES C=12[C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC(C1c1ccc(C(=O)OC)cc1)=O)[H]
SPLASH splash10-0ktg-9100100000-f8aaa11ab0b57ad3b42a
Source of Spectrum U1-2010-652-11e
Wiley ID 1663366