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CHEBI:218740 - Thyrsiferyl-23-acetate

Default Structure
ChEBI IDCHEBI:218740
ChEBI NameThyrsiferyl-23-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H55BrO8
Net Charge0
Average Mass647.688
Monoisotopic Mass646.30803
SMILESCC(=O)OC(C)(C)[C@H]1CC[C@](C)([C@H](O)CCC(C)(O)C2CC[C@@H]3O[C@H]([C@@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)O1
InChIInChI=1S/C32H55BrO8/c1-20(34)38-28(4,5)23-14-18-30(7,39-23)22(35)13-16-29(6,36)24-10-11-25-31(8,40-24)19-15-26(37-25)32(9)17-12-21(33)27(2,3)41-32/h21-26,35-36H,10-19H2,1-9H3/t21-,22+,23+,24?,25-,26-,29?,30+,31+,32+/m0/s1
InChIKeyCFIPFJIKZAGWFH-BKVFCTNJSA-N
ChEBI Ontology
Outgoing Relation(s)
Thyrsiferyl-23-acetate (CHEBI:218740) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[(2R,5R)-5-[(1R)-4-[(2S,4aR,8aS)-2-[(2R,5S)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1,4-dihydroxypentyl]-5-methyloxolan-2-yl]propan-2-yl acetate
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78438165ChemSpider