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(1S,2S,4aS,13bS,14aS)-2-Hydroxy-11-methoxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1S,2S,4aS,13bS,14aS)-2-Hydroxy-11-methoxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester
SpectraBase Compound ID HZqJDWLzzXt
InChI InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,16+,18+,19+,20+/m1/s1
InChIKey DBCVUIBEXPYXAJ-NVYYXGKESA-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 DPIf8J1yq8E
Name (1S,2S,4aS,13bS,14aS)-2-Hydroxy-11-methoxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester
Alternate Name(s) 11-Methoxy-.alpha.-yohimbine 11-Methoxyrauwolscine 11.alpha.-methoxy-yohimbine Methyl 17-hydroxy-11-methoxy-2,7-dihydroyohimban-16-carboxylate Yohimban-16-carboxylic acid, 17-hydroxy-11-methoxy-, methyl ester, (16beta,17alpha,20alpha)-
CAS Registry Number 84710-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-27-13-4-5-14-15-7-8-24-11-12-3-6-19(25)20(22(26)28-2)16(12)10-18(24)21(15)23-17(14)9-13/h4-5,9,12,16,18-20,23,25H,3,6-8,10-11H2,1-2H3/t12-,16+,18+,19+,20+/m1/s1
InChIKey DBCVUIBEXPYXAJ-NVYYXGKESA-N
Molecular Weight 384.476 g/mol
SMILES O[C@@]1([C@]([C@]2(C[C@]3(c4[nH]c5cc(OC)ccc5c4CCN3C[C@]2(CC1)[H])[H])[H])(C(=O)OC)[H])[H]
SPLASH splash10-001i-0009000000-8d04414265b229644025
Source of Spectrum X2-45-742-8
Wiley ID 1601036