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

View entire compound with spectra: 1 MS (GC)

(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(E)-methyloximinomethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
SpectraBase Compound ID B62AvrLhhkc
InChI InChI=1S/C21H35NO3/c1-19-9-7-16(23)12-14(19)4-5-18-17(19)8-10-20(2)15(13-22-25-3)6-11-21(18,20)24/h13-18,23-24H,4-12H2,1-3H3/b22-13+/t14-,15-,16+,17+,18-,19+,20-,21+/m1/s1
InChIKey QOWDALFHIREUGY-OJPXLHIPSA-N
Mol Weight 349.5 g/mol
Molecular Formula C21H35NO3
Exact Mass 349.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aedA28SN8M
Name (3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(E)-methyloximinomethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO3
InChI InChI=1S/C21H35NO3/c1-19-9-7-16(23)12-14(19)4-5-18-17(19)8-10-20(2)15(13-22-25-3)6-11-21(18,20)24/h13-18,23-24H,4-12H2,1-3H3/b22-13+/t14-,15-,16+,17+,18-,19+,20-,21+/m1/s1
InChIKey QOWDALFHIREUGY-OJPXLHIPSA-N
Molecular Weight 349.515 g/mol
SMILES O[C@]12[C@@]3(CC[C@]4([C@](CC[C@@](C4)(O)[H])([C@]3(CC[C@@]2([C@](CC1)(\C=N\OC)[H])C)[H])C)[H])[H]
SPLASH splash10-014i-0009000000-eb69d722a5b8715ceb1a
Source of Spectrum F2-43-2342-3
Synonyms (3S,5R,8R,9S,10S,13R,14S,17S)-17-[(E)-methoxyiminomethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Wiley ID 1600750