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17,18-Dinorcorynan-19-oic acid, 20,21-didehydro-16-hydroxy-, 1,1-dimethylethyl ester, (3.beta.)-(.+-.)-
SpectraBase Compound ID 7tbrOWziqHp
InChI InChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)13-8-9-17-19-18(14(12-24)11-23(17)10-13)15-6-4-5-7-16(15)22-19/h4-7,10,14,17,22,24H,8-9,11-12H2,1-3H3
InChIKey BEMAHGSXBODKOL-UHFFFAOYSA-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 Fx2APWRct2H
Name 17,18-Dinorcorynan-19-oic acid, 20,21-didehydro-16-hydroxy-, 1,1-dimethylethyl ester, (3.beta.)-(.+-.)-
CAS Registry Number 78229-24-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)13-8-9-17-19-18(14(12-24)11-23(17)10-13)15-6-4-5-7-16(15)22-19/h4-7,10,14,17,22,24H,8-9,11-12H2,1-3H3
InChIKey BEMAHGSXBODKOL-UHFFFAOYSA-N
Molecular Weight 354.450 g/mol
SMILES OCC1c2c(C3N(C1)C=C(CC3)C(OC(C)(C)C)=O)[nH]c1ccccc21
SPLASH splash10-014l-0798000000-02ee046307a3574893cc
Source of Spectrum K-114-1901-0
Synonyms Indolo[2,3-a]quinolizine, 17,18-dinorcorynan-19-oic acid deriv. tert-Butyl 7-(hydroxymethyl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate tert-Butyl ester of 1,2,6,7,12,12b.beta.-hexahydro-2.beta.-(hydroxymethyl)indolo[2,3-a]quinolizin-3-carboxylic acid
Wiley ID 1344756