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CHEBI:214397 - Hypocrellol F

Default Structure
ChEBI IDCHEBI:214397
ChEBI NameHypocrellol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O6
Net Charge0
Average Mass556.784
Monoisotopic Mass556.37639
SMILESCC(=O)OC[C@H](CCC1OC1(C)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C34H52O6/c1-21(36)38-19-23(9-12-29-34(8,20-35)40-29)24-13-17-33(7)26-10-11-27-30(3,4)28(39-22(2)37)15-16-31(27,5)25(26)14-18-32(24,33)6/h10,14,23-24,27-29,35H,9,11-13,15-20H2,1-8H3/t23-,24+,27-,28-,29?,31+,32+,33-,34?/m0/s1
InChIKeySHYHPAQWKHVTCD-MKYSNJAYSA-N
Species of MetaboliteComponentSourceComments
Hypocrella (ncbitaxon:42305) - PubMed (21995505)
ChEBI Ontology
Outgoing Relation(s)
Hypocrellol F (CHEBI:214397) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butyl] acetate
Manual XrefsDatabases
78438580ChemSpider