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(+-)-subcosine I

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

(+-)-subcosine I
SpectraBase Compound ID 2gHwTUIbQbB
InChI InChI=1S/C28H35NO6/c1-31-24-11-8-19(15-26(24)33-3)9-13-28(30)35-22-17-21-7-5-6-14-29(21)23(18-22)20-10-12-25(32-2)27(16-20)34-4/h8-13,15-16,21-23H,5-7,14,17-18H2,1-4H3/b13-9+/t21-,22+,23?/m1/s1
InChIKey SBKIUFGQHKGQAE-FGDKPHICSA-N
Mol Weight 481.6 g/mol
Molecular Formula C28H35NO6
Exact Mass 481.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22VnAhk8RHS
Name (+-)-Subcosine I
CAS Registry Number 88931-06-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO6
InChI InChI=1S/C28H35NO6/c1-31-24-11-8-19(15-26(24)33-3)9-13-28(30)35-22-17-21-7-5-6-14-29(21)23(18-22)20-10-12-25(32-2)27(16-20)34-4/h8-13,15-16,21-23H,5-7,14,17-18H2,1-4H3/b13-9+/t21-,22+,23?/m1/s1
InChIKey SBKIUFGQHKGQAE-FGDKPHICSA-N
Molecular Weight 481.589 g/mol
SMILES C1(N2[C@@](C[C@@](C1)(OC(\C=C\c1cc(OC)c(cc1)OC)=O)[H])(CCCC2)[H])c1cc(OC)c(cc1)OC
SPLASH splash10-008c-0891500000-e01fe3ac0d87121d1758
Source of Spectrum J-49-1912-0
Synonyms (2S,9aR)-4-(3,4-dimethoxyphenyl)octahydro-2H-quinolizin-2-yl (2E)-3-(3,4-dimethoxyphenyl)-2-propenoate
Wiley ID 1395424