357819 <common-name>[(3s,8s,9s,10r,13r,14s,17r)-17-[(2r)-6-ethyl-5-methylideneoctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] (9e,17e)-18-bromooctadeca-9,17-dien-5,7,15-triynoate</common-name> <description>[(3s,8s,9s,10r,13r,14s,17r)-17-[(2r)-6-ethyl-5-methylideneoctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] (9e,17e)-18-bromooctadeca-9,17-dien-5,7,15-triynoate is a chemical compound with the formula C48H67BrO2. With an average molecular weight of 755.90 g/mol, [(3s,8s,9s,10r,13r,14s,17r)-17-[(2r)-6-ethyl-5-methylideneoctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] (9e,17e)-18-bromooctadeca-9,17-dien-5,7,15-triynoate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>10580950</pubchem-id> <chemical-formula>C48H67BrO2</chemical-formula> <weight>755.9</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">2026-09-01T05:07:53Z</created-at> <updated-at type="dateTime">2026-09-01T05:07:53Z</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>CCC(CC)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCC#CC#CC=CCCCCC#CC=CBr)C)C</moldb-smiles> <moldb-formula>C48H67BrO2</moldb-formula> <moldb-inchi>InChI=1S/C48H67BrO2/c1-7-39(8-2)37(3)25-26-38(4)43-29-30-44-42-28-27-40-36-41(31-33-47(40,5)45(42)32-34-48(43,44)6)51-46(50)24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-35-49/h9-10,23,27,35,38-39,41-45H,3,7-8,11,13,15,17,20,22,24-26,28-34,36H2,1-2,4-6H3/b10-9+,35-23+/t38-,41+,42+,43-,44+,45+,47+,48-/m1/s1</moldb-inchi> <moldb-inchikey>PJYRWJAPQIUDJF-LDPNYWCRSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">754.43244</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>15.5</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>CHEM353712</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>[(3s,8s,9s,10r,13r,14s,17r)-17-[(2r)-6-ethyl-5-methylideneoctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] (9e,17e)-18-bromooctadeca-9,17-dien-5,7,15-triynoate</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>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Steroid esters</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0308067</sync-id> <structure-inchikey>PJYRWJAPQIUDJF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>418080040000000000008000004001000000010000000000000000000100100000000010020000000000010400000000000040040000000000000000000004800100402000002000000002000002000000200400202003000000008010004000010040000100000000000200000000002000000200000000400000000000001a0000000048004000000040000200081000200000000000000000000000000520080000000006000040080200082001400000000080000000060000000200000000801048000000000000000000000000000000040000028000008000000004010000800000000000000044080000010401008001000000000000014000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������3���6���€���`�������`�������`�������`�������`�������(�������h��������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�������`�������`�������h��������(������� ������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������(�������(�������(�������(�������h��������h��������`�������`�������`�������`�������(�������(�������h��������h������#� ������`�������`�������������������������������� � � ������ � ����������������������������������������������� ��(����� � !�!"�"#(�#$ $%(�%& &'(�'(�()�)*�*+�+,�,-(�-. ./(�/0��1��2�������������B������� ���������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:55:32Z</structure-indexed-at> </compound>