CHEBI:194329 - 32-ketoeburicol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 32-ketoeburicol
ChEBI ID CHEBI:194329
Stars This entity has been manually annotated by a third party.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C31H50O2
Net Charge 0
Average Mass 454.739
Monoisotopic Mass 454.38108
InChI InChI=1S/C31H50O2/c1-20(2)21(3)9-10-22(4)23-14-18-31(19-32)25-11-12-26-28(5,6)27(33)15-16-29(26,7)24(25)13-17-30(23,31)8/h19-20,22-23,26-27,33H,3,9-18H2,1-2,4-8H3/t22-,23-,26+,27+,29-,30-,31-/m1/s1
InChIKey SRGDGDSDQBHQSM-VAPIERHISA-N
SMILES C1[C@@]2(C=3CC[C@]4([C@](C3CC[C@]2(C([C@H](C1)O)(C)C)[H])(CC[C@@]4([C@H](C)CCC(C(C)C)=C)[H])C=O)C)C
ChEBI Ontology
Outgoing 32-ketoeburicol (CHEBI:194329) has functional parent eburicol (CHEBI:70315)
32-ketoeburicol (CHEBI:194329) is a 14α-formyl steroid (CHEBI:176902)
32-ketoeburicol (CHEBI:194329) is a 3β-sterol (CHEBI:35348)
Synonyms Sources
(3β)-32-oxo-24-methylidenelanost-8-en-3-ol SUBMITTER
32-oxo-24-methylenelanost-8-en-3beta-ol SUBMITTER
32-oxoeburicol UniProt