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CHEBI:206824 - 3,15-O-diacetyldehydrotrametenolic acid

Default Structure
ChEBI IDCHEBI:206824
ChEBI Name3,15-O-diacetyldehydrotrametenolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O6
Net Charge0
Average Mass554.768
Monoisotopic Mass554.36074
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)C[C@H](OC(C)=O)[C@@]4(C)C3=CC[C@H]2C1(C)C
InChIInChI=1S/C34H50O6/c1-20(2)11-10-12-23(30(37)38)26-19-29(40-22(4)36)34(9)25-13-14-27-31(5,6)28(39-21(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h11,13,15,23,26-29H,10,12,14,16-19H2,1-9H3,(H,37,38)/t23-,26-,27+,28+,29+,32-,33-,34-/m1/s1
InChIKeyZLXXRJXYYYIEIW-KLNYWHDDSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (31180673)
ChEBI Ontology
Outgoing Relation(s)
3,15-O-diacetyldehydrotrametenolic acid (CHEBI:206824) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3S,5R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid