<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">78786</id>
  <title nil="true"/>
  <common-name>Prednisolone valerate acetate</common-name>
  <description>Prednisolone valerate acetate 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 C28H38O7 and an average molecular weight of 486.61 g/mol.</description>
  <cas>72064-79-0</cas>
  <pubchem-id>5284612</pubchem-id>
  <chemical-formula>C28H38O7</chemical-formula>
  <weight>486.6</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">2026-04-04T13:01:55Z</created-at>
  <updated-at type="dateTime">2026-08-22T08:33:42Z</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>CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O</moldb-smiles>
  <moldb-formula>C28H38O7</moldb-formula>
  <moldb-inchi>InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1</moldb-inchi>
  <moldb-inchikey>DGYSDXLCLKPUBR-SLPNHVECSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">486.605</moldb-average-mass>
  <moldb-mono-mass type="decimal">486.261754</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>119199</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>CHEM074679</chemdb-id>
  <dsstox-id>DTXSID3023506</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00037324</susdat-id>
  <iupac>[(8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate</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">315</paper-count>
  <sync-id>CED0013075</sync-id>
  <structure-inchikey>DGYSDXLCLKPUBR-SLPNHVECSA-N</structure-inchikey>
  <structure-fingerprint>10000000880000000000000010100000020800000000000080000000000002000020000000000000040000000080000000000000020000040080010040001000000000010000000200010020000001000100000200000000000000001020010000000002400000000000000000020200000001000002000040500010000048000000000200000000002040200000000000000100000000400020000000000004000000000000082001000000080800000000000040000000001000000008000000000000000000000000000000000000000000200000000000000000000001000000000040000000010400002000000000000004080004000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAjAAAAJgAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:26:10Z</structure-indexed-at>
</compound>
