CHEBI:175324 - Ergostane-3,6-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Ergostane-3,6-dione
ChEBI ID CHEBI:175324
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O2
Net Charge 0
Average Mass 414.674
Monoisotopic Mass 414.34978
InChI InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-19,21-25H,7-16H2,1-6H3
InChIKey VETZNBAGZJYCQT-UHFFFAOYSA-N
SMILES O=C1C2C(C3C(C4C(C(CC4)C(CCC(C(C)C)C)C)(CC3)C)C1)(CCC(=O)C2)C
ChEBI Ontology
Outgoing Ergostane-3,6-dione (CHEBI:175324) is a ergostanoid (CHEBI:50403)
IUPAC Name
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Manual Xref Database
HMDB0032004 HMDB
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