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1H-Cyclopent[cd]indole-5-carboxylic acid, decahydro-1,7b-dimethyl-6-(1-methylethyl)-7-oxo-, methyl ester, (2a.alpha.,4a.alpha.,5.beta.,6.alpha.,7a.alpha.,7b.alpha.)-(.+-.)-
SpectraBase Compound ID L4ir4WbRcmx
InChI InChI=1S/C17H27NO3/c1-9(2)12-13(16(20)21-5)11-7-6-10-8-18(4)15(14(12)19)17(10,11)3/h9-13,15H,6-8H2,1-5H3/t10-,11+,12+,13-,15-,17+/m0/s1
InChIKey CBDAOVWBKMOXIU-CWDSLDSZSA-N
Mol Weight 293.41 g/mol
Molecular Formula C17H27NO3
Exact Mass 293.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C491YrnXLY1
Name 1H-Cyclopent[cd]indole-5-carboxylic acid, decahydro-1,7b-dimethyl-6-(1-methylethyl)-7-oxo-, methyl ester, (2a.alpha.,4a.alpha.,5.beta.,6.alpha.,7a.alpha.,7b.alpha.)-(.+-.)-
CAS Registry Number 53403-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO3
InChI InChI=1S/C17H27NO3/c1-9(2)12-13(16(20)21-5)11-7-6-10-8-18(4)15(14(12)19)17(10,11)3/h9-13,15H,6-8H2,1-5H3/t10-,11+,12+,13-,15-,17+/m0/s1
InChIKey CBDAOVWBKMOXIU-CWDSLDSZSA-N
Molecular Weight 293.407 g/mol
SMILES [C@]12([C@@]3(C(=O)[C@@]([C@]([C@]2(CC[C@]1(CN3C)[H])[H])(C(=O)OC)[H])(C(C)C)[H])[H])C
SPLASH splash10-0aor-0590000000-4dd89755a3ed6a05856b
Source of Spectrum C-102-1403-0
Synonyms Methyl (2aR,4aR,5S,6R,7aR,7bS)-6-isopropyl-1,7b-dimethyl-7-oxodecahydro-1H-cyclopenta[cd]indole-5-carboxylate Methyl ester of N-methyl-11.alpha.-methyl-7-keto-6.alpha.-(2-propyl)-2,3,4,5,6,8.alpha.,9.alpha.,10.alpha.-octahydrocyclopenteno[cd]indole-5.beta.-carboxylic acid Methyl ketodendrobinate
Wiley ID 1296399