326721 <common-name>[(1r,10s,12r,13e,14r,16s,18r)-13-ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate</common-name> <description>[(1r,10s,12r,13e,14r,16s,18r)-13-ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate is a compound with the formula C21H22N2O3. It has an average molecular weight of 350.40 g/mol.</description> <cas>6880-50-8</cas> <pubchem-id>11953806</pubchem-id> <chemical-formula>C21H22N2O3</chemical-formula> <weight>350.4</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">2026-08-30T05:13:23Z</created-at> <updated-at type="dateTime">2026-08-30T05:13:23Z</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>CC=C1C2CC3C4=NC5=CC=CC=C5C46CC(C2C6OC(=O)C)N3C1O</moldb-smiles> <moldb-formula>C21H22N2O3</moldb-formula> <moldb-inchi>InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17?,19+,20+,21+/m0/s1</moldb-inchi> <moldb-inchikey>BERYBAUEDCRDKM-FDHUPVAHSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">350.1630426</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</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>CHEM322614</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>[(1r,10s,12r,13e,14r,16s,18r)-13-ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate</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>Ajmaline-sarpagine alkaloids</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0277338</sync-id> <structure-inchikey>BERYBAUEDCRDKM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000800300000000000800004000000000000400000000000000800020000001000300210400000020000000000080010000000008020000000000000000030100800000000000000000500410000048000000800000000200000000000200000100000000008000400000000800008000000000000000080000000000000000000800000000000000008000000000000000000000000000000000000040400000000000000200004000000040008000000000000040000000000c10000080000000080100000090000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������h��������(�������`�������`�������`�������(�������(������@(������@h�������@h�������@h�������@h�������@(������� ������`�������`�������`�������`�������(�������(�������(�������`������� ������`�������`���������������������������(��� � h� h� �h���h�� h� ������������������� ��(������������������������� �h����B�������� ���������������������� �� �������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:17Z</structure-indexed-at> </compound>