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CHEBI:199792 - Inoterpene A

Default Structure
ChEBI IDCHEBI:199792
ChEBI NameInoterpene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O3
Net Charge0
Average Mass460.743
Monoisotopic Mass460.39165
SMILESC[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H52O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h19-20,23-25,31-33H,9-18H2,1-8H3/t19-,20-,23+,24+,25+,28-,29-,30+/m1/s1
InChIKeyJFEXJRXYTKYHOD-LCWRUPSGSA-N
Species of MetaboliteComponentSourceComments
Inonotus obliquus (ncbitaxon:167356) - DOI (10.1016/j.tet.2009.01.076)
ChEBI Ontology
Outgoing Relation(s)
Inoterpene A (CHEBI:199792) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3-diol
Manual XrefsDatabases
78436541ChemSpider