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20.alpha.-yohimban-16.beta.-17.alpha.-dicarboxylic acid methyl ester
SpectraBase Compound ID LjURfvyZkN8
InChI InChI=1S/C23H28N2O4/c1-28-22(26)16-8-7-13-12-25-10-9-15-14-5-3-4-6-18(14)24-21(15)19(25)11-17(13)20(16)23(27)29-2/h3-6,13,16-17,19-20,24H,7-12H2,1-2H3/t13-,16-,17-,19-,20+/m0/s1
InChIKey TWPZZINXGVZTBX-BIEQGAHLSA-N
Mol Weight 396.49 g/mol
Molecular Formula C23H28N2O4
Exact Mass 396.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VSa1QaKcS
Name 20.alpha.-yohimban-16.beta.-17.alpha.-dicarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O4
InChI InChI=1S/C23H28N2O4/c1-28-22(26)16-8-7-13-12-25-10-9-15-14-5-3-4-6-18(14)24-21(15)19(25)11-17(13)20(16)23(27)29-2/h3-6,13,16-17,19-20,24H,7-12H2,1-2H3/t13-,16-,17-,19-,20+/m0/s1
InChIKey TWPZZINXGVZTBX-BIEQGAHLSA-N
Molecular Weight 396.487 g/mol
SMILES [nH]1c2ccccc2c2c1[C@]1(N(CC2)C[C@@]2(CC[C@@]([C@]([C@]2(C1)[H])(C(=O)OC)[H])(C(=O)OC)[H])[H])[H]
SPLASH splash10-0002-0829000000-5bc7ee3fed1374a13283
Source of Spectrum CJ-1992-0-0
Synonyms Dimethyl (16beta,17alpha)-yohimban-16,17-dicarboxylate
Wiley ID 1367544