<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">362674</id>
  <title nil="true"/>
  <common-name>[(2r,3r,4s,5s,6s)-2-[[(3s,4ar,6ar,6bs,8as,11s,12ar,14ar,14bs)-11-(dodecylcarbamoylamino)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1h-picen-3-yl]oxy]-5-acetyloxy-6-(dodecylcarbamoylamino)-3-[(2r,3r,4s,5s,6r)-3,4,5-triacetyloxy-6-(dodecylcarbamoylamino)oxan-2-yl]oxyoxan-4-yl] acetate</common-name>
  <description>[(2r,3r,4s,5s,6s)-2-[[(3s,4ar,6ar,6bs,8as,11s,12ar,14ar,14bs)-11-(dodecylcarbamoylamino)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1h-picen-3-yl]oxy]-5-acetyloxy-6-(dodecylcarbamoylamino)-3-[(2r,3r,4s,5s,6r)-3,4,5-triacetyloxy-6-(dodecylcarbamoylamino)oxan-2-yl]oxyoxan-4-yl] acetate is a chemical compound with the formula C88H150N6O18. With an average molecular weight of 1,580 g/mol, [(2r,3r,4s,5s,6s)-2-[[(3s,4ar,6ar,6bs,8as,11s,12ar,14ar,14bs)-11-(dodecylcarbamoylamino)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1h-picen-3-yl]oxy]-5-acetyloxy-6-(dodecylcarbamoylamino)-3-[(2r,3r,4s,5s,6r)-3,4,5-triacetyloxy-6-(dodecylcarbamoylamino)oxan-2-yl]oxyoxan-4-yl] acetate is a heavy molecule.</description>
  <cas>96236-59-8</cas>
  <pubchem-id>71301248</pubchem-id>
  <chemical-formula>C88H150N6O18</chemical-formula>
  <weight>1580.2</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">2026-09-01T12:02:48Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:02:48Z</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>CCCCCCCCCCCCNC(=O)NC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3C(=O)C=C5C4(CCC6(C5CC(CC6)(C)NC(=O)NCCCCCCCCCCCC)C)C)C)C)OC7C(C(C(C(O7)NC(=O)NCCCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C</moldb-smiles>
  <moldb-formula>C88H150N6O18</moldb-formula>
  <moldb-inchi>InChI=1S/C88H150N6O18/c1-16-19-22-25-28-31-34-37-40-43-54-89-80(101)92-76-72(107-62(7)98)70(105-60(5)96)74(110-79-73(108-63(8)99)69(104-59(4)95)71(106-61(6)97)77(112-79)93-81(102)90-55-44-41-38-35-32-29-26-23-20-17-2)78(111-76)109-68-47-48-86(13)67(83(68,9)10)46-49-88(15)75(86)66(100)57-64-65-58-85(12,52-50-84(65,11)51-53-87(64,88)14)94-82(103)91-56-45-42-39-36-33-30-27-24-21-18-3/h57,65,67-79H,16-56,58H2,1-15H3,(H2,89,92,101)(H2,90,93,102)(H2,91,94,103)/t65-,67-,68-,69-,70-,71-,72-,73+,74+,75+,76-,77+,78+,79+,84+,85-,86-,87+,88+/m0/s1</moldb-inchi>
  <moldb-inchikey>UWLDJANULPKDOW-SVNJCBOMSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1579.100662</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>20.9</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>CHEM358567</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,5s,6s)-2-[[(3s,4ar,6ar,6bs,8as,11s,12ar,14ar,14bs)-11-(dodecylcarbamoylamino)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1h-picen-3-yl]oxy]-5-acetyloxy-6-(dodecylcarbamoylamino)-3-[(2r,3r,4s,5s,6r)-3,4,5-triacetyloxy-6-(dodecylcarbamoylamino)oxan-2-yl]oxyoxan-4-yl] 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>Prenol lipids</klass>
  <subklass>Triterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0312734</sync-id>
  <structure-inchikey>UWLDJANULPKDOW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>a000000000000018804200000000000000000000000040000000000004000500008020000200000088000000000100000002040000000000202080000000040002404110800000180000000000000208014010001000000000000000000000400200100000000000140008000000080000200000000000000000100025000100000480004000000020022000100802000000000000000000000000000200040000020140000000000000c0000000000000808001000040004000000000009000000000200000000000000000000000000000000000000000040400001000000000000000000000048000000010440000003001000000400000080800000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������p���v���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������h��������(�������(�������h��������`�������`�������`�������`�������`������� ������ ������`�������`�������`������� ������`������� ������`�������`�������`�������`������� ������`�������(�������(�������h��������(������� ������`�������`������� ������`�������`������� ������`�������`�������`�������h��������(�������(�������h��������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�������`�������`������� ������h��������(�������(�������h��������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������(�������(�������(�������`�������(�������(�������(�������`�������(�������(�������(�������`�������(�������(�������(�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:59:37Z</structure-indexed-at>
</compound>
