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11,17-Dimethoxy-16-(methoxycarbonyl)-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-4-ium

ChemSpider ID: 21433521
Molecular Formula: C₃₃H₄₁N₂O₉
Average mass: 609.685974 Da
Monoisotopic mass: 609.281006 Da
Systematic name

11,17-Dimethoxy-16-(methoxycarbonyl)-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-4-ium
SMILES and InChIs

SMILES:

COc1ccc2c(c1)[nH]c3c2CC[NH+]4C3CC5C(C4)CC(C(C5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC Copied

Std. InChI:

InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/p+1 Copied

Std. InChIKey:

QEVHRUUCFGRFIF-UHFFFAOYSA-O Copied
Cite this record
CSID:21433521, http://www.chemspider.com/Chemical-Structure.21433521.html (accessed 03:57, May 25, 2012) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ZINC05226650 [DBID]

Data supplied by datasources and users.

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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