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CHEBI:144128 - 22a-Acetoxy-3-stictanone

Default Structure
ChEBI IDCHEBI:144128
ChEBI Name22a-Acetoxy-3-stictanone
Stars
Submittermwilliams
DownloadsMolfile
FormulaC32H52O3
Net Charge0
Average Mass484.765
Monoisotopic Mass484.39165
SMILESCC(=O)OC1C2CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CC[C@@]43C)C2(C)CCC1(C)C
InChIInChI=1S/C32H52O3/c1-20(33)35-26-21-12-16-31(8)23(29(21,6)19-18-27(26,2)3)10-11-24-30(7)15-14-25(34)28(4,5)22(30)13-17-32(24,31)9/h21-24,26H,10-19H2,1-9H3/t21?,22?,23?,24?,26?,29?,30?,31?,32-/m0/s1
InChIKeyLGQHZIVHROPSOF-LDRDEZDLSA-N
ChEBI Ontology
Outgoing Relation(s)
22a-Acetoxy-3-stictanone (CHEBI:144128) is a 16-oxo steroid (CHEBI:47786)