CHEBI:79964 - 6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone

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ChEBI Name 6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone
ChEBI ID CHEBI:79964
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H30O3
Net Charge 0
Average Mass 342.47180
Monoisotopic Mass 342.21949
InChI InChI=1S/C22H30O3/c1-19-8-4-16-14(15(19)5-9-21(19)10-6-18(24)25-21)11-17(23)22-12-13(22)3-7-20(16,22)2/h6,10,13-17,23H,3-5,7-9,11-12H2,1-2H3/t13?,14-,15-,16-,17+,19-,20+,21+,22?/m0/s1
InChIKey OUBYDRMNFCCAQT-CNGBPTJQSA-N
SMILES C[C@]12CCC3CC13[C@H](O)C[C@H]1[C@@H]3CC[C@]4(OC(=O)C=C4)[C@@]3(C)CC[C@H]21
ChEBI Ontology
Outgoing 6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone (CHEBI:79964) is a androstanoid (CHEBI:50402)
Manual Xref Database
C15467 KEGG COMPOUND
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Registry Number Type Source
7247-99-6 CAS Registry Number KEGG COMPOUND