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(3S,10R,13S,16R,17S)-17-[(1Z)-1-methoxyiminoethyl]-10,13-dimethyl-16-(nitromethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,10R,13S,16R,17S)-17-[(1Z)-1-methoxyiminoethyl]-10,13-dimethyl-16-(nitromethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 7o8Q6xi0qIM
InChI InChI=1S/C23H36N2O4/c1-14(24-29-4)21-15(13-25(27)28)11-20-18-6-5-16-12-17(26)7-9-22(16,2)19(18)8-10-23(20,21)3/h5,15,17-21,26H,6-13H2,1-4H3/b24-14-/t15-,17-,18?,19?,20?,21-,22-,23-/m0/s1
InChIKey OGQJRUNQVGVYOR-PNBIDEQYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C23H36N2O4
Exact Mass 404.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ezlxcJ5H3s
Name (3S,10R,13S,16R,17S)-17-[(1Z)-1-methoxyiminoethyl]-10,13-dimethyl-16-(nitromethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Alternate Name(s) (3S,10R,13S,16R,17S)-17-[(Z)-N-methoxy-C-methyl-carbonimidoyl]-10,13-dimethyl-16-(nitromethyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O4
InChI InChI=1S/C23H36N2O4/c1-14(24-29-4)21-15(13-25(27)28)11-20-18-6-5-16-12-17(26)7-9-22(16,2)19(18)8-10-23(20,21)3/h5,15,17-21,26H,6-13H2,1-4H3/b24-14-/t15-,17-,18?,19?,20?,21-,22-,23-/m0/s1
InChIKey OGQJRUNQVGVYOR-PNBIDEQYSA-N
Molecular Weight 404.551 g/mol
SMILES O[C@]1(CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)C[C@]([C@@]4(\C(=N/OC)C)[H])(CN(=O)=O)[H])C)C)[H]
SPLASH splash10-0a4i-5923000000-ff43814b62202a247357
Wiley ID 1459999