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CHEBI:202946 - Astraeusin C

Default Structure
ChEBI IDCHEBI:202946
ChEBI NameAstraeusin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O2
Net Charge0
Average Mass438.696
Monoisotopic Mass438.34978
SMILESC/C(C=O)=C\C=C\[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H46O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h8-10,19,21-22,25-26,32H,11-18H2,1-7H3/b10-8+,20-9+/t21-,22-,25+,26-,28-,29-,30+/m1/s1
InChIKeyYWWKREGHNURJMN-ASMIHXIMSA-N
Species of MetaboliteComponentSourceComments
Astraeus odoratus (ncbitaxon:265491) - DOI (10.1016/j.tet.2016.04.057)
ChEBI Ontology
Outgoing Relation(s)
Astraeusin C (CHEBI:202946) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2E,4E,6R)-6-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhepta-2,4-dienal
Manual XrefsDatabases
78436938ChemSpider