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16-CARBOMETHOXY-18-HYDROXY-17-METHOXY-ALLO-YOHIMBANE
SpectraBase Compound ID HzXVh1JUeda
InChI InChI=1S/C22H28N2O4/c1-27-21-18(25)9-12-11-24-8-7-14-13-5-3-4-6-16(13)23-20(14)17(24)10-15(12)19(21)22(26)28-2/h3-6,12,15,17-19,21,23,25H,7-11H2,1-2H3/t12-,15+,17+,18-,19+,21+/m1/s1
InChIKey BIJIGLRLIDSMCO-LVQHPBRMSA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H28N2O4
Exact Mass 384.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iOwNGTtjRp
Name Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
CAS Registry Number 87554-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-27-21-18(25)9-12-11-24-8-7-14-13-5-3-4-6-16(13)23-20(14)17(24)10-15(12)19(21)22(26)28-2/h3-6,12,15,17-19,21,23,25H,7-11H2,1-2H3/t12-,15+,17+,18-,19+,21+/m1/s1
InChIKey BIJIGLRLIDSMCO-LVQHPBRMSA-N
Molecular Weight 384.476 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(C[C@]3([C@](C[C@]([C@@]([C@]3(C(=O)OC)[H])(OC)[H])(O)[H])(CN1CC2)[H])[H])[H]
SPLASH splash10-001i-0209000000-1057241f59eabe787e12
Source of Spectrum C-112-7691-42
Synonyms Yohimban-16-carboxylic acid, 18-hydroxy-17-methoxy-, methyl ester, (16.beta.,17.alpha.,18.beta.,20.alpha.)-(.+-.)- (.+-.)-3-Isodeserpidic acid methyl ester (.+-.)-Methyl 3-isodeserpate 16-Carbomethoxy-18-hydroxy-17-methoxyalloyohimbane Methyl (16beta,17alpha,18beta,20alpha)-18-hydroxy-17-methoxyyohimban-16-carboxylate
Wiley ID 1361688