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CHEBI:224040 - 3,11-dioxolansta-8,24(Z)-diene-26-oic acid

Default Structure
ChEBI IDCHEBI:224040
ChEBI Name3,11-dioxolansta-8,24(Z)-diene-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O4
Net Charge0
Average Mass468.678
Monoisotopic Mass468.32396
SMILESC/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)O
InChIInChI=1S/C30H44O4/c1-18(9-8-10-19(2)26(33)34)20-13-16-29(6)21-11-12-23-27(3,4)24(32)14-15-28(23,5)25(21)22(31)17-30(20,29)7/h10,18,20,23H,8-9,11-17H2,1-7H3,(H,33,34)/b19-10-/t18-,20-,23+,28+,29+,30-/m1/s1
InChIKeyOYIAJMJBKJAEIE-VDUFOOLUSA-N
Species of MetaboliteComponentSourceComments
Jahnoporus hirtus (ncbitaxon:404354) - PubMed (19644795)
ChEBI Ontology
Outgoing Relation(s)
3,11-dioxolansta-8,24(Z)-diene-26-oic acid (CHEBI:224040) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
Manual XrefsDatabases
28287237ChemSpider