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(+-)-Dimethyl (3.alpha.,15.beta.,16.alpha.,20.beta.H)-17-Oxoyohimban-16-carboxylate
SpectraBase Compound ID 1Wku37IcqRe
InChI InChI=1S/C23H26N2O5/c1-29-21(27)23(22(28)30-2)16-11-18-20-15(14-5-3-4-6-17(14)24-20)9-10-25(18)12-13(16)7-8-19(23)26/h3-6,13,16,18,24H,7-12H2,1-2H3/t13-,16+,18-/m0/s1
InChIKey UMOHBMGMMDLXLW-XCRHUMRWSA-N
Mol Weight 410.47 g/mol
Molecular Formula C23H26N2O5
Exact Mass 410.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GENeQOz3OKy
Name (+-)-Dimethyl (3.alpha.,15.beta.,16.alpha.,20.beta.H)-17-Oxoyohimban-16-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O5
InChI InChI=1S/C23H26N2O5/c1-29-21(27)23(22(28)30-2)16-11-18-20-15(14-5-3-4-6-17(14)24-20)9-10-25(18)12-13(16)7-8-19(23)26/h3-6,13,16,18,24H,7-12H2,1-2H3/t13-,16+,18-/m0/s1
InChIKey UMOHBMGMMDLXLW-XCRHUMRWSA-N
Molecular Weight 410.470 g/mol
SMILES [nH]1c2ccccc2c2c1[C@]1(N(CC2)C[C@@]2(CCC(C([C@@]2(C1)[H])(C(=O)OC)C(=O)OC)=O)[H])[H]
SPLASH splash10-0imi-0048900000-e9393633d14316699860
Source of Spectrum J-56-2711-52
Synonyms (+-)-Dimethyl (3.alpha.,15.beta.,16.alpha.,2O.beta.H)-17-oxoyohimban-16-carboxylate Dimethyl (15beta)-17-oxoyohimban-16,16-dicarboxylate
Wiley ID 1373676