218597 <common-name>Methyl (1r,15s,17r,18r,19s,20s)-17-(4-butan-2-yl-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate</common-name> <description>Methyl (1r,15s,17r,18r,19s,20s)-17-(4-butan-2-yl-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate belongs to the yohimbine alkaloids, a class of alkaloids and derivatives within the organic compounds. With an average molecular weight of 634.80 g/mol, Methyl (1r,15s,17r,18r,19s,20s)-17-(4-butan-2-yl-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate is a heavy molecule. Its chemical formula is C36H46N2O8.</description> <cas>55729-37-8</cas> <pubchem-id>3043566</pubchem-id> <chemical-formula>C36H46N2O8</chemical-formula> <weight>634.8</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-22T11:55:43Z</created-at> <updated-at type="dateTime">2026-08-22T11:55:43Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles nil="true"/> <moldb-formula>C36H46N2O8</moldb-formula> <moldb-inchi>InChI=1S/C36H46N2O8/c1-8-19(2)31-28(42-4)13-20(14-29(31)43-5)35(39)46-30-15-21-18-38-12-11-24-23-10-9-22(41-3)16-26(23)37-33(24)27(38)17-25(21)32(34(30)44-6)36(40)45-7/h9-10,13-14,16,19,21,25,27,30,32,34,37H,8,11-12,15,17-18H2,1-7H3/t19?,21-,25+,27-,30-,32+,34+/m1/s1</moldb-inchi> <moldb-inchikey>QAPXTTCEFRWEQB-JAUGYRKISA-N</moldb-inchikey> <moldb-average-mass type="decimal">634.8</moldb-average-mass> <moldb-mono-mass type="decimal">634.3254164</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM214490</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>methyl (1R,15S,17R,18R,19S,20S)-17-(4-butan-2-yl-3,5-dimethoxybenzoyl)oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Alkaloids and derivatives</superklass> <klass>Yohimbine alkaloids</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0179791</sync-id> <structure-inchikey nil="true"/> <structure-fingerprint nil="true"/> <structure-pattern-fingerprint nil="true"/> <structure-pickle type="binary" nil="true" encoding="base64"/> <structure-indexed-at type="dateTime" nil="true"/> </compound>