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CHEBI:192862 - 3beta-Acetoxy-19alpha-hydroxy-12-ursene

Default Structure
ChEBI IDCHEBI:192862
ChEBI Name3beta-Acetoxy-19alpha-hydroxy-12-ursene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O3
Net Charge0
Average Mass484.765
Monoisotopic Mass484.39165
SMILESCC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4C(C)(CCC(C)C4(C)O)CCC23C)C1(C)C
InChIInChI=1S/C32H52O3/c1-20-12-15-28(5)18-19-30(7)22(26(28)32(20,9)34)10-11-24-29(6)16-14-25(35-21(2)33)27(3,4)23(29)13-17-31(24,30)8/h10,20,23-26,34H,11-19H2,1-9H3
InChIKeyMAVZHIDFSWDHNP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
3beta-Acetoxy-19alpha-hydroxy-12-ursene (CHEBI:192862) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(12-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicen-3-yl) acetate
Manual XrefsDatabases
35014139ChemSpider
HMDB0036404HMDB