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CHEBI:218432 - Ganodermanondiol 24,25-acetonide

Default Structure
ChEBI IDCHEBI:218432
ChEBI NameGanodermanondiol 24,25-acetonide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52O4
Net Charge0
Average Mass512.775
Monoisotopic Mass512.38656
SMILESC[C@H](CCC1OC(C)(C)OC1(C)C)[C@H]1CC(=O)[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C33H52O4/c1-20(11-14-27-29(4,5)37-30(6,7)36-27)23-19-26(35)33(10)22-12-13-24-28(2,3)25(34)16-17-31(24,8)21(22)15-18-32(23,33)9/h12,15,20,23-25,27,34H,11,13-14,16-19H2,1-10H3/t20-,23-,24?,25+,27?,31-,32-,33-/m1/s1
InChIKeyCLMBHTUJLOCTAS-YJDOZGGQSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies (ncbitaxon:1869158) - DOI (10.1177/1934578X1801301107)
ChEBI Ontology
Outgoing Relation(s)
Ganodermanondiol 24,25-acetonide (CHEBI:218432) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-4-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-yl]-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-15-one