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(8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one
SpectraBase Compound ID 5DyJkPvJEpd
InChI InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6-8,11,15-17H,3,5,9-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
InChIKey NJSCJHMZMZOGDE-VXNCWWDNSA-N
Mol Weight 282.38 g/mol
Molecular Formula C19H22O2
Exact Mass 282.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCPV3zU5LjA
Name (8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CAS Registry Number 17748-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O2
InChI InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6-8,11,15-17H,3,5,9-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
InChIKey NJSCJHMZMZOGDE-VXNCWWDNSA-N
Molecular Weight 282.383 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(C=CC1=O)[H])C
SPLASH splash10-001i-0090000000-34c207781626704335bf
Source of Spectrum F-47-7758-9
Synonyms 3-Methoxyestra-1,3,5(10),15-tetraen-17-one
Wiley ID 1286410