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CHEBI:210767 - 26-epiastrasiaone

Default Structure
ChEBI IDCHEBI:210767
ChEBI Name26-epiastrasiaone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O3
Net Charge0
Average Mass470.738
Monoisotopic Mass470.37600
SMILESCOC1O[C@H]([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC4)CC[C@H]1C
InChIInChI=1S/C31H50O3/c1-19-9-11-24(34-27(19)33-8)20(2)21-13-17-31(7)23-10-12-25-28(3,4)26(32)15-16-29(25,5)22(23)14-18-30(21,31)6/h19-21,24-25,27H,9-18H2,1-8H3/t19-,20+,21-,24+,25+,27?,29-,30-,31+/m1/s1
InChIKeyPHLQZUYHOWPYNU-KBZYSGSKSA-N
Species of MetaboliteComponentSourceComments
Astraeus asiaticus (ncbitaxon:554049) - DOI (10.1016/j.tet.2017.01.070)
ChEBI Ontology
Outgoing Relation(s)
26-epiastrasiaone (CHEBI:210767) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,10S,13R,14R,17R)-17-[(1S)-1-[(2S,5R)-6-methoxy-5-methyloxan-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
78439165ChemSpider