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17,18-Dinorcorynan-19-oic acid, 16-chloro-20,21-didehydro-, 1,1-dimethylethyl ester, (3.beta.)-(.+-.)-
SpectraBase Compound ID 7lUs0nP5atJ
InChI InChI=1S/C21H25ClN2O2/c1-21(2,3)26-20(25)16-12-24-9-8-15-14-6-4-5-7-17(14)23-19(15)18(24)10-13(16)11-22/h4-7,12-13,18,23H,8-11H2,1-3H3/t13?,18-/m1/s1
InChIKey FXDDFYAHYBQTTB-PQJIZZRHSA-N
Mol Weight 372.9 g/mol
Molecular Formula C21H25ClN2O2
Exact Mass 372.160456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7ZbhLED9ch
Name 17,18-Dinorcorynan-19-oic acid, 16-chloro-20,21-didehydro-, 1,1-dimethylethyl ester, (3.beta.)-(.+-.)-
CAS Registry Number 78229-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25ClN2O2
InChI InChI=1S/C21H25ClN2O2/c1-21(2,3)26-20(25)16-12-24-9-8-15-14-6-4-5-7-17(14)23-19(15)18(24)10-13(16)11-22/h4-7,12-13,18,23H,8-11H2,1-3H3/t13?,18-/m1/s1
InChIKey FXDDFYAHYBQTTB-PQJIZZRHSA-N
Molecular Weight 372.896 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(N(CC2)C=C(C(C1)CCl)C(OC(C)(C)C)=O)[H]
SPLASH splash10-014i-0196000000-a6bd627ab3d2fdfcffa2
Source of Spectrum K-114-1902-0
Synonyms Indolo[2,3-a]quinolizine, 17,18-dinorcorynan-19-oic acid deriv. tert-Butyl (12bR)-2-(chloromethyl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate tert-Butyl ester of 2.beta.-(chloromethyl)-,2,6,7,12,12b.beta.-hexahydr oindolo[2,3-a]quinolizin-3-carboxylic acid
Wiley ID 1355498