CHEBI:79498 - 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate

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ChEBI Name 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
ChEBI ID CHEBI:79498
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H30O4
Net Charge 0
Average Mass 358.47120
Monoisotopic Mass 358.21441
InChI InChI=1S/C22H30O4/c1-13(23)26-20-21(2)10-9-17-16-8-6-15(25-4)11-14(16)5-7-18(17)19(21)12-22(20,3)24/h6,8,11,17-20,24H,5,7,9-10,12H2,1-4H3/t17-,18-,19+,20-,21+,22+/m1/s1
InChIKey AQYZEWWPIBKYCF-BTOHRNCKSA-N
SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C[C@](C)(O)[C@@H]4OC(C)=O)[C@@H]3CCc2c1
ChEBI Ontology
Outgoing 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate (CHEBI:79498) is a steroid ester (CHEBI:47880)
Manual Xref Database
C14974 KEGG COMPOUND
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