5952 <common-name>BIRCH TAR, OIL (BETULA PENDULA ROTH AND RELATED BETULA SPP.)</common-name> <description>BIRCH TAR, OIL (BETULA PENDULA ROTH AND RELATED BETULA SPP.) is an organic compound with the formula C19H28O2 and an average molecular weight of 288.42 g/mol. BIRCH TAR, OIL (BETULA PENDULA ROTH AND RELATED BETULA SPP.) belongs to the androstane steroids, a subclass of steroids and steroid derivatives within the organic compounds. In industrial applications, this substance is utilized as a fragrance as well as a flavouring and nutrient.</description> <cas>8001-88-5</cas> <pubchem-id nil="true"/> <chemical-formula>C19H28O2</chemical-formula> <weight nil="true"/> <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">2016-05-19T01:55:33Z</created-at> <updated-at type="dateTime">2026-04-14T18:14:12Z</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>DB11361</drugbank-id> <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>[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C</moldb-smiles> <moldb-formula>C19H28O2</moldb-formula> <moldb-inchi>InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1</moldb-inchi> <moldb-inchikey>FMGSKLZLMKYGDP-USOAJAOKSA-N</moldb-inchikey> <moldb-average-mass type="decimal">288.4244</moldb-average-mass> <moldb-mono-mass type="decimal">288.20893014</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM004847</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 nil="true"/> <moldb-polar-surface-area>37.3</moldb-polar-surface-area> <moldb-refractivity>84.65889999999999</moldb-refractivity> <moldb-polarizability>34.099316668638735</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>18.204289505502594</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.3972434077338853</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>3.53</moldb-alogps-logp> <moldb-alogps-logs>-3.82</moldb-alogps-logs> <moldb-alogps-solubility>4.38e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Androstane steroids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0043916</sync-id> <structure-inchikey>FMGSKLZLMKYGDP-USOAJAOKSA-N</structure-inchikey> <structure-fingerprint>1008000000000040000000000000040000000000000000000000000010100000000000000000020000000000000000000000000000000000000000000000080010040000000000000020200000200000020000000000000000000000000020001000000010000000000200000000000000000020000000000000000000000100000000048000000000000000000000000200000000000000000000000400020000000000006000000000000080000400000000000000100000000000000000000000000000000000000000000000000000000000000028000200000000004000000000000000001000040080000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAGAAAAIABBiA0AAAAAgEEBgBgAAAA AgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIGICQAAAABBAYAYAAAAAEDBgBg AAAAAgIGAGAAAAACAgYgNAAAAAEBBAYgNAAAAAEBBAYAYAAAAAICBgBoAAAA AwMBBgAoAAAAAwQGAGAAAAACAgYgNAAAAAEBBAgAYAAAAAEBBgBgAAAAAgIG AGAAAAACAgYgJAAAAAIEBgBgAAAAAQMLAAEAAQIAAgMAAwQIAgMFAAUGAAUH AAcIAAgJAAkKAAoLAAsMAAwNCAINDgAODwAPEAAPEQAREgASEwATFAAFAAAT CQAKAAATDQBCBAAAAAUBAAUDAgYHCAkKAAUGCwwNEwkKBg4PERITDRcEAAAA AAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:08Z</structure-indexed-at> </compound>