81150 <common-name>3Beta,17-Dihydroxypregn-5-en-20-one 17-hexanoate</common-name> <description>3Beta,17-Dihydroxypregn-5-en-20-one 17-hexanoate belongs to the pregnane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. The compound has the formula C27H42O4 and an average molecular weight of 430.63 g/mol.</description> <cas>94201-44-2</cas> <pubchem-id>44150260</pubchem-id> <chemical-formula>C27H42O4</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">2026-04-04T17:20:39Z</created-at> <updated-at type="dateTime">2026-04-04T17:20:39Z</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>CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O</moldb-smiles> <moldb-formula>C27H42O4</moldb-formula> <moldb-inchi>InChI=1S/C27H42O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h9,20-23,29H,5-8,10-17H2,1-4H3/t20-,21-,22+,23+,25+,26+,27+/m1/s1</moldb-inchi> <moldb-inchikey>UNRVSFSDQNHLOX-YOEZIVMMSA-N</moldb-inchikey> <moldb-average-mass type="decimal">430.629</moldb-average-mass> <moldb-mono-mass type="decimal">430.30831</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21167141</chemspider-id> <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>CHEM077043</chemdb-id> <dsstox-id>DTXSID50241007</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040248</susdat-id> <iupac>[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hexanoate</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>Pregnane steroids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0191527</sync-id> <structure-inchikey>UNRVSFSDQNHLOX-YOEZIVMMSA-N</structure-inchikey> <structure-fingerprint>100800000000000000080000000000000000010000000000000000001000000000000000200000000000000000000000000000000000000000002000000008001004000001000000003020000020000002000000000010000020000000000000100002001000000000020000000000000000002000000000000000200000050000000004800000000000000000000004020000000000000000000000040102100000000000600000000000008200140000000080880010000080000000000100000000800000000000000000000000000000000000002c000000000000004000000000000000000000040080000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������"���€���`�������`�������`�������`�������`�������(�������(�������(������ $�������`�������`������ 4������� 4��������`�������h��������(�������`������ 4��������`�������`�������`������ $�������`������ 4��������`�������`������ $�������`�������(�������`�������(�����������������������(��� ���� � � ������ � ����������������������������������������������������������������B������ ��� �����������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:52Z</structure-indexed-at> </compound>