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CHEBI:225760 - Antcamphorol I

ChEBI IDCHEBI:225760
ChEBI NameAntcamphorol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O
Net Charge0
Average Mass408.670
Monoisotopic Mass408.33922
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
InChIInChI=1S/C29H44O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,14,18,20-21,23-25H,3,8-9,11-13,15-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,28-,29+/m1/s1
InChIKeyXIJNKDCVAKOGFQ-CHJFJNOPSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (31891260)
ChEBI Ontology
Outgoing Relation(s)
Antcamphorol I (CHEBI:225760) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,4,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
128437806ChemSpider