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(-)-Dregamine
SpectraBase Compound ID LQjThdGSA96
InChI InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17+,19?/m1/s1
InChIKey FFVRRQMGGGTQRH-BDORVZHGSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dlmuww07kL6
Name (-)-Dregamine
CAS Registry Number 6835-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17+,19?/m1/s1
InChIKey FFVRRQMGGGTQRH-BDORVZHGSA-N
Molecular Weight 354.450 g/mol
SMILES [nH]1c2c(c3c1C(C[C@@]1(C([C@](C3)(N(C[C@]1(CC)[H])C)[H])C(=O)OC)[H])=O)cccc2
SPLASH splash10-001i-0902000000-6c28cfa64f5891390988
Source of Spectrum B-28-1852-0
Synonyms Methyl 3-oxo-19,20-dihydrovobasan-17-oate (-)-Tabernemontanine (20-alpha)-19,20-dihydro-3-oxovobasan-17-oic acid methyl ester 2,6-Methano-1H-azecino[5,4-b]indole, vobasan-17-oic acid deriv. 20-Epidregamine 20-Epitabernemontanine Methyl (20-alpha)-19,20-dihydro-3-oxovobasan-17-oate Vobasan-17-oic acid, 19,20-dihydro-3-oxo-, methyl ester, (20.alpha.)- Methyl (20beta)-19,20-dihydro-3-oxovobasan-17-oate Tabernaemontanin Tabernaemontanine Tabernamontanine Vobasan-17-oic acid, 19,20-dihydro-3-oxo-, methyl ester, (20-alpha)- Vobassan-17-oic acid, 19,20-dihydro-3-oxo-, methyl ester, (20beta)- EINECS 218-367-2 EINECS 218-948-0 NSC 177392
Wiley ID 1344745