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(3S,5R,8R,9S,10S,13R,14S,17E)-17-[3-(dimethylamino)propoxyimino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14-diol

View entire compound with spectra: 1 MS (GC)

(3S,5R,8R,9S,10S,13R,14S,17E)-17-[3-(dimethylamino)propoxyimino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14-diol
SpectraBase Compound ID EQNpmfWlzG6
InChI InChI=1S/C24H42N2O3/c1-22-11-8-18(27)16-17(22)6-7-20-19(22)9-12-23(2)21(10-13-24(20,23)28)25-29-15-5-14-26(3)4/h17-20,27-28H,5-16H2,1-4H3/b25-21+/t17-,18+,19+,20-,22+,23-,24+/m1/s1
InChIKey UYQXIGSVTNHFSH-XYXXHHRPSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H42N2O3
Exact Mass 406.319543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BY9kS1YXIC6
Name (3S,5R,8R,9S,10S,13R,14S,17E)-17-[3-(dimethylamino)propoxyimino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H42N2O3
InChI InChI=1S/C24H42N2O3/c1-22-11-8-18(27)16-17(22)6-7-20-19(22)9-12-23(2)21(10-13-24(20,23)28)25-29-15-5-14-26(3)4/h17-20,27-28H,5-16H2,1-4H3/b25-21+/t17-,18+,19+,20-,22+,23-,24+/m1/s1
InChIKey UYQXIGSVTNHFSH-XYXXHHRPSA-N
Molecular Weight 406.611 g/mol
SMILES O[C@]12[C@@]3(CC[C@]4([C@](CC[C@@](C4)(O)[H])([C@]3(CC[C@@]2(\C(CC1)=N/OCCCN(C)C)C)[H])C)[H])[H]
SPLASH splash10-0a4i-0009000000-b3adea5e6df13c35edc6
Source of Spectrum F2-43-2345-44
Synonyms (3S,5R,8R,9S,10S,13R,14S,17E)-17-[3-(dimethylamino)propyloximino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14-diol
Wiley ID 1600715