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CHEBI:227960 - 3-acetyl-ganodermadiol

Default Structure
ChEBI IDCHEBI:227960
ChEBI Name3-acetyl-ganodermadiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O3
Net Charge0
Average Mass482.749
Monoisotopic Mass482.37600
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)CO)CC[C@@]4(C)C3=CC[C@H]2C1(C)C
InChIInChI=1S/C32H50O3/c1-21(20-33)10-9-11-22(2)24-14-18-32(8)26-12-13-27-29(4,5)28(35-23(3)34)16-17-30(27,6)25(26)15-19-31(24,32)7/h10,12,15,22,24,27-28,33H,9,11,13-14,16-20H2,1-8H3/b21-10+/t22-,24-,27+,28+,30-,31-,32+/m1/s1
InChIKeyXZPGUQWQPJEACY-UIAQYYJJSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - DOI (10.1016/j.phytol.2018.12.007)
ChEBI Ontology
Outgoing Relation(s)
3-acetyl-ganodermadiol (CHEBI:227960) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate