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(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,3E)-2-methyl-3-propoxyimino-prop-1-enyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
SpectraBase Compound ID 9vpmSQNoDzy
InChI InChI=1S/C26H43NO3/c1-5-14-30-27-17-18(2)15-20-8-13-26(29)23-7-6-19-16-21(28)9-11-24(19,3)22(23)10-12-25(20,26)4/h15,17,19-23,28-29H,5-14,16H2,1-4H3/b18-15+,27-17+/t19-,20-,21+,22+,23-,24+,25-,26+/m1/s1
InChIKey FJNXVRRJWRVNME-PZIBJHANSA-N
Mol Weight 417.6 g/mol
Molecular Formula C26H43NO3
Exact Mass 417.324294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E510DyGn1DM
Name (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,3E)-2-methyl-3-propoxyimino-prop-1-enyl]-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 C26H43NO3
InChI InChI=1S/C26H43NO3/c1-5-14-30-27-17-18(2)15-20-8-13-26(29)23-7-6-19-16-21(28)9-11-24(19,3)22(23)10-12-25(20,26)4/h15,17,19-23,28-29H,5-14,16H2,1-4H3/b18-15+,27-17+/t19-,20-,21+,22+,23-,24+,25-,26+/m1/s1
InChIKey FJNXVRRJWRVNME-PZIBJHANSA-N
Molecular Weight 417.634 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@](CC[C@@]4(\C=C\(\C=N\OCCC)C)[H])([C@@]3(CC[C@@]2(C1)[H])[H])O)C)[H])C)[H]
SPLASH splash10-0006-0900100000-49805aacd253f5336665
Source of Spectrum F2-43-2343-21
Synonyms (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,3E)-2-methyl-3-propyloximino-prop-1-enyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Wiley ID 1600733