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SOLACALLINIDINE
SpectraBase Compound ID 67xBLbRLyd5
InChI InChI=1S/C27H46N2O/c1-16-5-8-23(29-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(28)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,24-25,30H,5-15,28H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1
InChIKey IWJUNMWYVUJLJD-JSALYLKVSA-N
Mol Weight 414.7 g/mol
Molecular Formula C27H46N2O
Exact Mass 414.361014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hcucali8vh1
Name (3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-amino-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
Alternate Name(s) (3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-azanyl-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
CAS Registry Number 61899-01-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46N2O
InChI InChI=1S/C27H46N2O/c1-16-5-8-23(29-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(28)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,24-25,30H,5-15,28H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1
InChIKey IWJUNMWYVUJLJD-JSALYLKVSA-N
Molecular Weight 414.678 g/mol
SMILES N[C@]1(CC[C@]2([C@@](CC[C@]3([C@]4([C@@]([C@]([C@@](C4)(O)[H])([C@@](C4=NC[C@](CC4)(C)[H])(C)[H])[H])(CC[C@]23[H])C)[H])[H])(C1)[H])C)[H]
SPLASH splash10-004i-4900000000-2995f7b8ba13eeeea092
Source of Spectrum B-32-608-0
Wiley ID 1375720