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CHEBI:212631 - Laetiposide C

Default Structure
ChEBI IDCHEBI:212631
ChEBI NameLaetiposide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O9
Net Charge0
Average Mass632.835
Monoisotopic Mass632.39243
SMILESCC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@H]3OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C36H56O9/c1-19(2)9-8-10-20(31(42)43)21-11-16-36(7)27-22(12-15-35(21,36)6)34(5)14-13-26(38)33(3,4)25(34)17-23(27)44-32-30(41)29(40)28(39)24(18-37)45-32/h9,20-21,23-25,28-30,32,37,39-41H,8,10-18H2,1-7H3,(H,42,43)/t20-,21-,23-,24?,25?,28?,29?,30?,32?,34-,35-,36+/m1/s1
InChIKeyGFGIUMWRNMGCBW-LUTJVGFASA-N
Species of MetaboliteComponentSourceComments
Laetiporus versisporus (ncbitaxon:447507) - PubMed (10217704)
ChEBI Ontology
Outgoing Relation(s)
Laetiposide C (CHEBI:212631) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-6-methyl-2-[(7R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
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78445266ChemSpider