CHEBI:183105 - 3,26-Dihydroxycholest-5-ene-16,22-dione

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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 3,26-Dihydroxycholest-5-ene-16,22-dione
ChEBI ID CHEBI:183105
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H42O4
Net Charge 0
Average Mass 430.629
Monoisotopic Mass 430.30831
InChI InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3
InChIKey GDKGOXUWEBGZBY-UHFFFAOYSA-N
SMILES O=C1C(C2(C(C3C(C4(C(=CC3)CC(O)CC4)C)CC2)C1)C)C(C)C(=O)CCC(CO)C
ChEBI Ontology
Outgoing 3,26-Dihydroxycholest-5-ene-16,22-dione (CHEBI:183105) is a cholanoid (CHEBI:36078)
IUPAC Name
3-hydroxy-17-(7-hydroxy-6-methyl-3-oxoheptan-2-yl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
Manual Xref Database
19975287 ChemSpider
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Last Modified
02 November 2021