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(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,3E)-2-methyl-3-methyloximino-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 5QuDMJRFdUg
InChI InChI=1S/C24H39NO3/c1-16(15-25-28-4)13-18-7-12-24(27)21-6-5-17-14-19(26)8-10-22(17,2)20(21)9-11-23(18,24)3/h13,15,17-21,26-27H,5-12,14H2,1-4H3/b16-13+,25-15+/t17-,18-,19+,20+,21-,22+,23-,24+/m1/s1
InChIKey IAHGAOGLLRYQRA-VRIYAKFCSA-N
Mol Weight 389.6 g/mol
Molecular Formula C24H39NO3
Exact Mass 389.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1Mxy8XRGNL
Name (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(E,3E)-2-methyl-3-methyloximino-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 C24H39NO3
InChI InChI=1S/C24H39NO3/c1-16(15-25-28-4)13-18-7-12-24(27)21-6-5-17-14-19(26)8-10-22(17,2)20(21)9-11-23(18,24)3/h13,15,17-21,26-27H,5-12,14H2,1-4H3/b16-13+,25-15+/t17-,18-,19+,20+,21-,22+,23-,24+/m1/s1
InChIKey IAHGAOGLLRYQRA-VRIYAKFCSA-N
Molecular Weight 389.580 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@](CC[C@@]4(\C=C\(\C=N\OC)C)[H])([C@@]3(CC[C@@]2(C1)[H])[H])O)C)[H])C)[H]
SPLASH splash10-0006-9000000000-69fa1be710fdd46191bb
Source of Spectrum F2-43-2343-20
Synonyms (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-methoxyimino-2-methyl-prop-1-enyl]-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 1600734