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17-epi-alloyohimbine
SpectraBase Compound ID 6B65KBrd0Wz
InChI InChI=1S/C21H26N2O3/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/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18-,19-/m1/s1
InChIKey BLGXFZZNTVWLAY-OAWNVEJFSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VXFgiw0jWT
Name 17-epi-alloyohimbine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/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/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18-,19-/m1/s1
InChIKey BLGXFZZNTVWLAY-OAWNVEJFSA-N
Molecular Weight 354.450 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(C[C@@]3([C@]([C@@](CC[C@@]3(CN1CC2)[H])(O)[H])(C(=O)OC)[H])[H])[H]
SPLASH splash10-0udi-0109000000-23dfe25872bebef1e39f
Source of Spectrum X2-46-718-28
Synonyms Methyl (1S,15S,18R,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate Methyl (1S,15S,18R,19R,20S)-18-oxidanyl-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Wiley ID 1601248