349950 <common-name>[(3r,3as,7e,7as)-7-[(2z)-2-[(5s)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-3-[(2r)-6-methylheptan-2-yl]-2,3,4,5,6,7a-hexahydro-1h-inden-3a-yl]methyl acetate</common-name> <description>[(3r,3as,7e,7as)-7-[(2z)-2-[(5s)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-3-[(2r)-6-methylheptan-2-yl]-2,3,4,5,6,7a-hexahydro-1h-inden-3a-yl]methyl acetate is a chemical compound with the formula C29H46O3. It has an average molecular weight of 442.70 g/mol.</description> <cas nil="true"/> <pubchem-id>9547512</pubchem-id> <chemical-formula>C29H46O3</chemical-formula> <weight>442.7</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">2026-08-31T14:46:00Z</created-at> <updated-at type="dateTime">2026-08-31T14:46:00Z</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)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)COC(=O)C</moldb-smiles> <moldb-formula>C29H46O3</moldb-formula> <moldb-inchi>InChI=1S/C29H46O3/c1-20(2)8-6-9-22(4)27-15-16-28-24(10-7-17-29(27,28)19-32-23(5)30)12-13-25-18-26(31)14-11-21(25)3/h12-13,20,22,26-28,31H,3,6-11,14-19H2,1-2,4-5H3/b24-12+,25-13-/t22-,26+,27-,28+,29+/m1/s1</moldb-inchi> <moldb-inchikey>GKWGCITYEOHSED-HKCRWRSOSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">442.3446953</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.1</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>CHEM345843</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>[(3r,3as,7e,7as)-7-[(2z)-2-[(5s)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-3-[(2r)-6-methylheptan-2-yl]-2,3,4,5,6,7a-hexahydro-1h-inden-3a-yl]methyl 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>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Vitamin D and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0300273</sync-id> <structure-inchikey>GKWGCITYEOHSED-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40800000100000000000800002000000000030000000000000000000010050000000001000000000010000000400000000100200000000080000000200000000000000000000000000020000000000000020000402000300000000001000000000000000010000000002200000000020000000020000000000000000000000500810000048400040000000002000000004208000000000000002000000400000000000000004000008008280080000000000000000000000000400000020000000000000000000000000000000000000000000040000000000200000000000000000800000100100080000400000010400000002000000000000000000001000</structure-fingerprint> 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