348590 <common-name>1-o-[(2s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-o-methyl (2s)-2-hydroxy-2-(3-methylbutyl)butanedioate</common-name> <description>1-o-[(2s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-o-methyl (2s)-2-hydroxy-2-(3-methylbutyl)butanedioate is a chemical compound with the formula C28H37NO8. With an average molecular weight of 515.60 g/mol, 1-o-[(2s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-o-methyl (2s)-2-hydroxy-2-(3-methylbutyl)butanedioate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>56840949</pubchem-id> <chemical-formula>C28H37NO8</chemical-formula> <weight>515.6</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">2026-08-31T12:39:49Z</created-at> <updated-at type="dateTime">2026-08-31T12:39:49Z</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(C)CCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O</moldb-smiles> <moldb-formula>C28H37NO8</moldb-formula> <moldb-inchi>InChI=1S/C28H37NO8/c1-17(2)6-9-28(32,15-23(30)34-4)26(31)37-25-22(33-3)14-27-8-5-10-29(27)11-7-18-12-20-21(36-16-35-20)13-19(18)24(25)27/h12-14,17,24-25,32H,5-11,15-16H2,1-4H3/t24-,25?,27?,28+/m1/s1</moldb-inchi> <moldb-inchikey>WRCBXHDQHPUVHW-KBXBIZAPSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">515.2519171</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</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>CHEM344483</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>1-o-[(2s)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-o-methyl (2s)-2-hydroxy-2-(3-methylbutyl)butanedioate</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>Cephalotaxus alkaloids</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0298920</sync-id> <structure-inchikey>WRCBXHDQHPUVHW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>41000000000000000a0280000000200000000000000000001000000000000000000000100000100000000000200010000800000000000040000000000000000000000000008000000000000000000000082080000000010001000000300000000000000021000000004400000010000000800002010000800000000000010010180000004c020800000000000228400080200004000000000000080000001000000000880000000004000000082000100000000000000000008000000008000080000000008000000000000000000008000000000000000000200000000000000080000000000100090041008000480400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>7006ca208532ce2089d85367c1b8b3201900140291072050803c60528a20e94c6426085013a400080340410ac0c08040056003a540cc3a2521ce6579c6a04904c711848d1294160040901460127627606846c58151611f3742040d6644329bc5cc78652f104cb226722a9180ddf40045308680d28155e506339a2e70a2510907d04418094ff88618180e03d0c92c42a8391c9e1664429e9a502c0ca060e0848619d310b3b1b3d3230f064978817fb7164ec10403a943084018b14ab24cc80a13ac3910ae849883331bc006a3d75142991c15e210232c70208d702206aa01134291386d769889413019488403d99ea0a61e70063092c2c52f57489148568208ca</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAlAAAAKQAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBgBgAAAAAgIGAGAAAAACAgYAIAAAAAQGAGAAAAACAgYAKAAA AAMECAAoAAAAAwIIACgAAAADAgYAYAAAAAEDBgAoAAAAAwQIACgAAAADAggA KAAAAAMCBgBgAAAAAwEGAGAAAAADAQZAKAAAAAMEBkBoAAAAAwMBBkAoAAAA AwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBgBgAAAAAgIGAGAAAAACAgcA IAAAAAMGACAAAAAEBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBoAAAAAwMB BgAoAAAAAwQIACgAAAADAgYAYAAAAAEDCAAoAAAAAwIGAGAAAAACAggAKAAA AAMCCABgAAAAAQELAAEAAQIAAQMAAwQABAUABQYABgcABwgoAgcJIAkKAAUL AAsMKAILDSANDgAODwAPEAAQEWgMERJoDBITaAwTFGgMFBVoDBUWABYXABcY ABgZABkaABobABscABkdAB0eKAIeHyAfIAATISAhIgAiIwAFJAAeDgAZDwAV EGgMIxIgHBgAQgUAAAAFDg8ZHR4GERITFBUQBxYVEA8ZGBcFGhkYHBsFIRMS IyIXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:54Z</structure-indexed-at> </compound>