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17,18-Dinorcorynan-19-oic acid, 20,21-didehydro-16-[(trifluoroacetyl)oxy]-, 1,1-dimethylethyl ester, (3.beta.)-(.+-.)-
SpectraBase Compound ID 3GJKm9uLta6
InChI InChI=1S/C23H25F3N2O4/c1-22(2,3)32-20(29)16-11-28-9-8-15-14-6-4-5-7-17(14)27-19(15)18(28)10-13(16)12-31-21(30)23(24,25)26/h4-7,11,13,18,27H,8-10,12H2,1-3H3
InChIKey HCWMSFOATXUJCY-UHFFFAOYSA-N
Mol Weight 450.46 g/mol
Molecular Formula C23H25F3N2O4
Exact Mass 450.176642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vFbc2kKkL9
Name 17,18-Dinorcorynan-19-oic acid, 20,21-didehydro-16-[(trifluoroacetyl)oxy]-, 1,1-dimethylethyl ester, (3.beta.)-(.+-.)-
CAS Registry Number 78229-27-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25F3N2O4
InChI InChI=1S/C23H25F3N2O4/c1-22(2,3)32-20(29)16-11-28-9-8-15-14-6-4-5-7-17(14)27-19(15)18(28)10-13(16)12-31-21(30)23(24,25)26/h4-7,11,13,18,27H,8-10,12H2,1-3H3
InChIKey HCWMSFOATXUJCY-UHFFFAOYSA-N
Molecular Weight 450.458 g/mol
SMILES [nH]1c2ccccc2c2c1C1N(CC2)C=C(C(C1)COC(C(F)(F)F)=O)C(OC(C)(C)C)=O
SPLASH splash10-0gbc-0498400000-e93feab737f1f6441bae
Source of Spectrum K-114-1903-0
Synonyms Indolo[2,3-a]quinolizine, 17,18-dinorcorynan-19-oic acid deriv. tert-Butyl 2-{[(trifluoroacetyl)oxy]methyl}-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.-(trifluoroacetoxymethyl)indolo[2,3-a]quinolizin-3-carboxylic acid
Wiley ID 1387638