CHEBI:79566 - Pregna-5,16,20-triene-3beta,20-diol diacetate

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ChEBI Name Pregna-5,16,20-triene-3beta,20-diol diacetate
ChEBI ID CHEBI:79566
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H34O4
Net Charge 0
Average Mass 398.53510
Monoisotopic Mass 398.24571
InChI InChI=1S/C25H34O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h6,8,19-20,22-23H,1,7,9-14H2,2-5H3/t19-,20-,22-,23-,24-,25+/m0/s1
InChIKey WVWYUFYNHHQVFI-ABVATSDPSA-N
SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=C)OC(C)=O)[C@@H]3CC=C2C1
ChEBI Ontology
Outgoing Pregna-5,16,20-triene-3beta,20-diol diacetate (CHEBI:79566) is a steroid ester (CHEBI:47880)
Manual Xref Database
C15046 KEGG COMPOUND
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