356045 <common-name>[(2s,3s,4r,6s)-6-[(2r,3s,4r,5r,6s)-4-(dimethylamino)-5-hydroxy-6-[[(4r,5s,6s,7r,9r,11e,13e,16r)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate</common-name> <description>[(2s,3s,4r,6s)-6-[(2r,3s,4r,5r,6s)-4-(dimethylamino)-5-hydroxy-6-[[(4r,5s,6s,7r,9r,11e,13e,16r)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate is a chemical compound with the formula C42H67NO15. With an average molecular weight of 826.00 g/mol, [(2s,3s,4r,6s)-6-[(2r,3s,4r,5r,6s)-4-(dimethylamino)-5-hydroxy-6-[[(4r,5s,6s,7r,9r,11e,13e,16r)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate is a heavy molecule.</description> <cas>36083-82-6</cas> <pubchem-id>76971499</pubchem-id> <chemical-formula>C42H67NO15</chemical-formula> <weight>826</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">2026-09-01T01:10:35Z</created-at> <updated-at type="dateTime">2026-09-01T01:10:35Z</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>CCCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(=O)C=CC=CCC(OC(=O)CC(C3OC)OC(=O)CC)C)C)CC=O)C)C</moldb-smiles> <moldb-formula>C42H67NO15</moldb-formula> <moldb-inchi>InChI=1S/C42H67NO15/c1-11-16-32(47)56-40-27(6)53-34(23-42(40,7)50)57-37-26(5)54-41(36(49)35(37)43(8)9)58-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(48)22-30(39(38)51-10)55-31(46)12-2/h13-15,18,20,24-28,30,34-41,49-50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1</moldb-inchi> <moldb-inchikey>NLUFZUPOQMATMY-VPLIJDJMSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">825.4510704</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM351938</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>[(2s,3s,4r,6s)-6-[(2r,3s,4r,5r,6s)-4-(dimethylamino)-5-hydroxy-6-[[(4r,5s,6s,7r,9r,11e,13e,16r)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbohydrates and carbohydrate conjugates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0306295</sync-id> <structure-inchikey>NLUFZUPOQMATMY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000800001100000000000000000000000020000210000800000040006000020000000000000000010000000000000002000010008000200000000001000000000010200001000400024800001210708010020000002000000000022010000000052008204004000200000020040000000200000080800100000000048000400004000000280000020100000000000000000080000c820208028010404100004000400000c3000000000000000200000000100000400000008002008000000000000000000000000000801000000000000000000100000000000000000000000000040000000000440008002008000000100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA6AAAAPAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgBgAAAAAwEGAGAA AAADAQgAIAAAAAIGAGAAAAADAQYAYAAAAAICBgAgAAAABAYAYAAAAAEDCABg AAAAAQEIACAAAAACBgBgAAAAAwEGAGAAAAADAQgAIAAAAAIGAGAAAAADAQYA YAAAAAMBBgBgAAAAAwEHACAAAAADBgBgAAAAAQMGAGAAAAABAwgAYAAAAAEB CAAgAAAAAgYAYAAAAAMBBgBgAAAAAwEGAGAAAAACAgYAYAAAAAMBBgAoAAAA AwQIACgAAAADAgYAaAAAAAMDAQYAaAAAAAMDAQYAaAAAAAMDAQYAaAAAAAMD AQYAYAAAAAICBgBgAAAAAwEIACgAAAADAgYAKAAAAAMECAAoAAAAAwIGAGAA AAACAgYAYAAAAAMBBgBgAAAAAwEIACAAAAACBgBgAAAAAQMIACgAAAADAgYA KAAAAAMECAAoAAAAAwIGAGAAAAACAgYAYAAAAAEDBgBgAAAAAQMGAGAAAAAB AwYAYAAAAAICBgBoAAAAAwMBCAAoAAAAAwIGAGAAAAABAwYAYAAAAAEDCwAB AAECAAIDAAMEKAIDBSAFBgAGBwAHCAAICQAJCgAKCwALDAALDQAJDgAODwAP EAAQEQAREgASEwATFAAUFQAVFgAVFwATGAASGQAZGgAaGwAbHAAcHQAdHgAe HygCHiAgICEoAiEiICIjKAIjJAAkJQAlJgAmJyAnKCgCJykAKSoAKisAKywA LC0AKi4ALi8gLzAoAi8xADEyACUzAB00ABs1ADU2ADY3CAIQOAAHOQALBgAU DwArGgBCAwAAAAYGCwoJCAcGEBESExQPEBscHR4gISIjJCUmJykqKxoXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:53:54Z</structure-indexed-at> </compound>