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2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]-1-phenyl-ethanone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]-1-phenyl-ethanone
SpectraBase Compound ID 94I3CygRAJA
InChI InChI=1S/C26H30O3/c1-26-12-11-19-20(22(26)9-10-25(26)29)8-7-17-14-24(28)18(13-21(17)19)15-23(27)16-5-3-2-4-6-16/h2-6,13-14,19-20,22,25,28-29H,7-12,15H2,1H3/t19-,20+,22-,25-,26-/m0/s1
InChIKey MKCGUDCFQRCZQI-IASQOJPJSA-N
Mol Weight 390.52 g/mol
Molecular Formula C26H30O3
Exact Mass 390.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xBNM2zeaKP
Name 2-[(8R,9S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]-1-phenyl-ethanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O3
InChI InChI=1S/C26H30O3/c1-26-12-11-19-20(22(26)9-10-25(26)29)8-7-17-14-24(28)18(13-21(17)19)15-23(27)16-5-3-2-4-6-16/h2-6,13-14,19-20,22,25,28-29H,7-12,15H2,1H3/t19-,20+,22-,25-,26-/m0/s1
InChIKey MKCGUDCFQRCZQI-IASQOJPJSA-N
Molecular Weight 390.523 g/mol
SMILES O[C@]1(CC[C@]2([C@@]3(CCc4c(cc(c(c4)O)CC(c4ccccc4)=O)[C@]3(CC[C@]12C)[H])[H])[H])[H]
SPLASH splash10-03di-0009000000-e44c8120eeb660450158
Source of Spectrum D8-330-296-10
Synonyms 2-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-2-yl]-1-phenyl-ethanone
Wiley ID 1516488