<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">230453</id>
  <title nil="true"/>
  <common-name>[(2r,3r,4s,5r,6r)-6-[2-[(6s,8s,9r,10s,11s,13s,14s,16r,17s)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-tris[(4-methylbenzoyl)oxy]oxan-2-yl]methyl 4-methylbenzoate</common-name>
  <description>[(2r,3r,4s,5r,6r)-6-[2-[(6s,8s,9r,10s,11s,13s,14s,16r,17s)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-tris[(4-methylbenzoyl)oxy]oxan-2-yl]methyl 4-methylbenzoate is a chemical compound with the formula C60H62F2O13. With an average molecular weight of 1,029 g/mol, [(2r,3r,4s,5r,6r)-6-[2-[(6s,8s,9r,10s,11s,13s,14s,16r,17s)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-tris[(4-methylbenzoyl)oxy]oxan-2-yl]methyl 4-methylbenzoate is a heavy molecule.</description>
  <cas>169453-84-3</cas>
  <pubchem-id>9963271</pubchem-id>
  <chemical-formula>C60H62F2O13</chemical-formula>
  <weight>1029.1</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">2026-08-23T03:10:06Z</created-at>
  <updated-at type="dateTime">2026-08-23T03:10:06Z</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 nil="true"/>
  <moldb-formula>C60H62F2O13</moldb-formula>
  <moldb-inchi>InChI=1S/C60H62F2O13/c1-32-8-16-37(17-9-32)53(66)70-31-47-50(73-54(67)38-18-10-33(2)11-19-38)51(74-55(68)39-20-12-34(3)13-21-39)52(75-56(69)40-22-14-35(4)15-23-40)57(72-47)71-30-46(64)49-36(5)26-42-43-28-45(61)44-27-41(63)24-25-59(44,7)60(43,62)48(65)29-58(42,49)6/h8-25,27,36,42-43,45,47-52,57,65H,26,28-31H2,1-7H3/t36-,42+,43+,45+,47-,48+,49-,50-,51+,52-,57-,58+,59+,60+/m1/s1</moldb-inchi>
  <moldb-inchikey>BVEAZFTXNPWHMR-QBKHVOGRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1029.1</moldb-average-mass>
  <moldb-mono-mass type="decimal">1028.415848</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>10.5</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>CHEM226346</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>[(2R,3R,4S,5R,6R)-6-[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-3,4,5-tris[(4-methylbenzoyl)oxy]oxan-2-yl]methyl 4-methylbenzoate</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0096590</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle type="binary" nil="true" encoding="base64"/>
  <structure-indexed-at type="dateTime" nil="true"/>
</compound>
