CHEBI:79958 - 17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate

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ChEBI Name 17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate
ChEBI ID CHEBI:79958
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H32O6
Net Charge 0
Average Mass 452.53940
Monoisotopic Mass 452.21989
InChI InChI=1S/C27H32O6/c1-14(28)17-5-6-18-24(17,3)9-8-19-25(4)10-7-16(32-15(2)29)13-26(25)11-12-27(18,19)21-20(26)22(30)33-23(21)31/h8,11-12,16-18,20-21H,5-7,9-10,13H2,1-4H3
InChIKey PSLJWFDKICJBAP-UHFFFAOYSA-N
SMILES CC(=O)OC1CCC2(C)C3=CCC4(C)C(CCC4C33C=CC2(C1)C1C3C(=O)OC1=O)C(C)=O
ChEBI Ontology
Outgoing 17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate (CHEBI:79958) is a steroid lactone (CHEBI:26766)
Manual Xref Database
C15461 KEGG COMPOUND
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Registry Number Type Source
25495-42-5 CAS Registry Number KEGG COMPOUND