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Rubigervine

View entire compound with spectra: 1 MS (GC)

Rubigervine
SpectraBase Compound ID LKEOHsK9IjB
InChI InChI=1S/C27H43NO2/c1-15-5-8-22-16(2)25-23(28(22)14-15)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h6,15-16,18-25,29-30H,5,7-14H2,1-4H3
InChIKey AANKDJLVHZQCFG-UHFFFAOYSA-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 JhYknRA97D3
Name Rubigervine
Alternate Name(s) Rubijervin Rubijervine Rubijiervine Solanid-5-en-3.beta.,12.alpha.-diol Solanid-5-ene-3,12-diol Solanid-5-ene-3,12-diol, (3.beta.,12.alpha.)- Solanid-5-ene-3.beta.,12.alpha.-diol
CAS Registry Number 79-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-15-5-8-22-16(2)25-23(28(22)14-15)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h6,15-16,18-25,29-30H,5,7-14H2,1-4H3
InChIKey AANKDJLVHZQCFG-UHFFFAOYSA-N
Molecular Weight 413.646 g/mol
SMILES OC1CC=2C(C3C(C4C(C(C3)O)(C3C(C4)N4C(C3C)CCC(C4)C)C)CC2)(CC1)C
SPLASH splash10-0udi-4900000000-5a3210567e143c303a24
Source of Spectrum NP-18-9905-0
Wiley ID 1111964