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(19alpha)-16-(Methoxycarbonyl)-4,19-Dimethyl-16,17-Didehydro-18-Oxayohimban-4-Ium
[CAS# 6801-41-8]

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CAS#: 6801-41-8
Product: (19alpha)-16-(Methoxycarbonyl)-4,19-Dimethyl-16,17-Didehydro-18-Oxayohimban-4-Ium
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Identification
Name (19alpha)-16-(Methoxycarbonyl)-4,19-Dimethyl-16,17-Didehydro-18-Oxayohimban-4-Ium
Molecular Structure CAS#: 6801-41-8, (19alpha)-16-(Methoxycarbonyl)-4,19-Dimethyl-16,17-Didehydro-18-Oxayohimban-4-Ium
Molecular Formula C22H27N2O3
Molecular Weight 367.46
CAS Registry Number 6801-41-8
SMILES COC(=O)\C3=C\O[C@@H](C)[C@H]4C[N+]5(C)CCc1c(nc2ccccc12)[C@@H]5C[C@H]34
InChI 1S/C22H27N2O3/c1-13-17-11-24(2)9-8-15-14-6-4-5-7-19(14)23-21(15)20(24)10-16(17)18(12-27-13)22(25)26-3/h4-7,12-13,16-17,20,23H,8-11H2,1-3H3/q+1/t13-,16-,17+,20-,24?/m0/s1
InChIKey PGWDPYAZSCNZHS-OXIZCCONSA-N
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