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(+-)-Methyl (3.alpha.,15.beta.,16.alpha.,2o.beta.H)-17-Oxoyohimban-16-carboxylate(3-epi-Alloyohimbinone)
SpectraBase Compound ID JRqrLWedpjd
InChI InChI=1S/C21H24N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17,19,22H,6-11H2,1H3/t12-,15+,17-,19+/m0/s1
InChIKey XRPLBLPRUDFFCC-MJFFMMMISA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECOtTdnP2NP
Name (+-)-Methyl (3.alpha.,15.beta.,16.alpha.,2o.beta.H)-17-Oxoyohimban-16-carboxylate(3-epi-Alloyohimbinone)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17,19,22H,6-11H2,1H3/t12-,15+,17-,19+/m0/s1
InChIKey XRPLBLPRUDFFCC-MJFFMMMISA-N
Molecular Weight 352.434 g/mol
SMILES [nH]1c2ccccc2c2c1[C@]1(N(CC2)C[C@@]2(CCC([C@@]([C@@]2(C1)[H])(C(=O)OC)[H])=O)[H])[H]
SPLASH splash10-0udi-0429000000-6c094ba3a671ca30b3d8
Source of Spectrum J-56-2711-10
Synonyms Methyl (15beta,16alpha)-17-oxoyohimban-16-carboxylate
Wiley ID 1343475