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Methyl -2,3,3-trimethoxy-2-(4-((8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13, 14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)phenyl)propanoate

View entire compound with spectra: 1 MS (GC)

Methyl -2,3,3-trimethoxy-2-(4-((8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13, 14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)phenyl)propanoate
SpectraBase Compound ID E8ULCo5b9Ud
InChI InChI=1S/C31H38O6/c1-30-17-16-24-23-12-8-20(18-21(23)9-13-25(24)26(30)14-15-27(30)32)19-6-10-22(11-7-19)31(37-5,28(33)34-2)29(35-3)36-4/h6-8,10-12,18,24-26,29H,9,13-17H2,1-5H3/t24-,25-,26+,30+,31?/m1/s1
InChIKey BJRHKCMILKMMEN-GDIJHHKTSA-N
Mol Weight 506.6 g/mol
Molecular Formula C31H38O6
Exact Mass 506.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mTRegCclk7
Name Methyl -2,3,3-trimethoxy-2-(4-((8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13, 14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)phenyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38O6
InChI InChI=1S/C31H38O6/c1-30-17-16-24-23-12-8-20(18-21(23)9-13-25(24)26(30)14-15-27(30)32)19-6-10-22(11-7-19)31(37-5,28(33)34-2)29(35-3)36-4/h6-8,10-12,18,24-26,29H,9,13-17H2,1-5H3/t24-,25-,26+,30+,31?/m1/s1
InChIKey BJRHKCMILKMMEN-GDIJHHKTSA-N
Literature Reference DOI 10.1039/C5CC03903G
Molecular Weight 506.639 g/mol
SMILES C(C(C(OC)OC)(c1ccc(cc1)-c1ccc2[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCc2c1)[H])[H])=O)C)[H])OC)(=O)OC
SPLASH splash10-05ec-5007900000-e8e56adb860419f1b62f
Source of Spectrum KD-51-14505/SM20-13
Synonyms Methyl 2,3,3-trimethoxy-2-(4-((8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)phenyl)propanoate
Wiley ID 1800901