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CHEBI:225711 - Antcamphorol J

ChEBI IDCHEBI:225711
ChEBI NameAntcamphorol J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O3
Net Charge0
Average Mass440.668
Monoisotopic Mass440.32905
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@H]3O)C(C)C
InChIInChI=1S/C29H44O3/c1-16(2)17(3)8-9-18(4)20-10-11-21-26-24(31)14-22-19(5)23(30)12-13-28(22,6)27(26)25(32)15-29(20,21)7/h16,18-22,24,31H,3,8-15H2,1-2,4-7H3/t18-,19+,20-,21+,22+,24-,28+,29-/m1/s1
InChIKeyJFHMPCBVGPEDHD-OFEIRVMVSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (31891260)
ChEBI Ontology
Outgoing Relation(s)
Antcamphorol J (CHEBI:225711) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(4S,5S,7R,10S,13R,14R,17R)-7-hydroxy-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,4,5,6,7,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione