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25-BETA-HYDROXYVERAZINE;(3S,20S,25R)-22,26-IMINOCHOLESTA-5,22(N)-DIEN-3,25-DIOL

View entire compound with spectra: 1 NMR, and 1 MS (GC)

25-BETA-HYDROXYVERAZINE;(3S,20S,25R)-22,26-IMINOCHOLESTA-5,22(N)-DIEN-3,25-DIOL
SpectraBase Compound ID E2NyTP5xNXS
InChI InChI=1S/C27H43NO2/c1-17(24-11-12-25(2,30)16-28-24)21-7-8-22-20-6-5-18-15-19(29)9-13-26(18,3)23(20)10-14-27(21,22)4/h5,17,19-23,29-30H,6-16H2,1-4H3/t17-,19-,20-,21+,22-,23-,25+,26-,27+/m0/s1
InChIKey YCTLKNVWQFQYLE-RRKPGTBZSA-N
Mol Weight 413.6 g/mol
Molecular Formula C27H43NO2
Exact Mass 413.32938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYjl2IjSDdJ
Name (3R)-6-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-4,5-dihydro-2H-pyridin-3-ol
Alternate Name(s) (3R)-6-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-4,5-dihydro-2H-pyridin-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-17(24-11-12-25(2,30)16-28-24)21-7-8-22-20-6-5-18-15-19(29)9-13-26(18,3)23(20)10-14-27(21,22)4/h5,17,19-23,29-30H,6-16H2,1-4H3/t17-,19-,20-,21+,22-,23-,25+,26-,27+/m0/s1
InChIKey YCTLKNVWQFQYLE-RRKPGTBZSA-N
Molecular Weight 413.646 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@](C=5CC[C@](CN5)(O)C)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H]
SPLASH splash10-002f-4900000000-6b1e4eea6d1612a62a22
Source of Spectrum G4-61-1207-8
Wiley ID 1607422