CHEBI:226748 - Ganocolobetausin C

ChEBI IDCHEBI:226748
ChEBI NameGanocolobetausin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H48O8
Net Charge0
Average Mass584.750
Monoisotopic Mass584.33492
SMILESCC(=O)OC[C@]12CCC(=O)OC(C)(C)[C@@H]1CC=C1C2=CC[C@]2(C)[C@@H]([C@H](C)[C@H](CC=C(C)C(=O)O)OC(C)=O)CC[C@@]12C
InChIInChI=1S/C34H48O8/c1-20(30(38)39)9-11-27(41-23(4)36)21(2)24-13-16-33(8)25-10-12-28-31(5,6)42-29(37)15-18-34(28,19-40-22(3)35)26(25)14-17-32(24,33)7/h9-10,14,21,24,27-28H,11-13,15-19H2,1-8H3,(H,38,39)/t21-,24+,27-,28-,32+,33-,34-/m0/s1
InChIKeyRFJUQKNFCIENDA-LTOGEVMSSA-N
Species of MetaboliteComponentSourceComments
Ganoderma colossus (ncbitaxon:36070) - PubMed (32639735)
ChEBI Ontology
Outgoing Relation(s)
Ganocolobetausin C (CHEBI:226748) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5S,6S)-6-[(1R,3aR,5aR,10aR,12aR)-10a-(acetyloxymethyl)-3a,6,6,12a-tetramethyl-8-oxo-1,2,3,5,5a,9,10,12-octahydroindeno[5,4-g][2]benzoxepin-1-yl]-5-acetyloxy-2-methylhept-2-enoic acid