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CHEBI:200333 - Radarin A

ChEBI IDCHEBI:200333
ChEBI NameRadarin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO2
Net Charge0
Average Mass421.625
Monoisotopic Mass421.29808
SMILESC[C@@H]1CC[C@@]2(C)[C@@H]3CCC(=O)[C@H](C)[C@@]3(C)CC[C@@H]2[C@@]1(C)Cc1cnc2cc(O)ccc12
InChIInChI=1S/C28H39NO2/c1-17-10-12-27(4)24-9-8-23(31)18(2)26(24,3)13-11-25(27)28(17,5)15-19-16-29-22-14-20(30)6-7-21(19)22/h6-7,14,16-18,24-25,29-30H,8-13,15H2,1-5H3/t17-,18+,24-,25+,26-,27+,28+/m1/s1
InChIKeyQUXMSGOZWRNNMC-OTTCATGESA-N
Species of MetaboliteComponentSourceComments
Aspergillus sulphureus (ncbitaxon:138284) - DOI (10.1021/jo00027a026)
ChEBI Ontology
Outgoing Relation(s)
Radarin A (CHEBI:200333) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,4aS,4bR,7R,8S,8aR,10aS)-8-[(6-hydroxy-1H-indol-3-yl)methyl]-1,4b,7,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-one
Manual XrefsDatabases
10249640ChemSpider