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CHEBI:202888 - 3beta,7beta,15alpha,28-tetrahydroxy-11,23-dioxo-lanost-8,16-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:202888
ChEBI Name3beta,7beta,15alpha,28-tetrahydroxy-11,23-dioxo-lanost-8,16-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O8
Net Charge0
Average Mass532.674
Monoisotopic Mass532.30362
SMILESCC(CC(=O)C[C@@H](C)C1=C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1C[C@@H]3O)C(=O)O
InChIInChI=1S/C30H44O8/c1-15(9-17(32)10-16(2)26(37)38)18-11-23(36)30(6)25-19(33)12-21-27(3,8-7-22(35)28(21,4)14-31)24(25)20(34)13-29(18,30)5/h11,15-16,19,21-23,31,33,35-36H,7-10,12-14H2,1-6H3,(H,37,38)/t15-,16?,19+,21-,22+,23+,27+,28+,29-,30+/m1/s1
InChIKeyBXIBUGHMPIBQEK-GFPVCCEUSA-N
Species of MetaboliteComponentSourceComments
Ganoderma tropicum (ncbitaxon:36077) - PubMed (25690289)
ChEBI Ontology
Outgoing Relation(s)
3beta,7beta,15alpha,28-tetrahydroxy-11,23-dioxo-lanost-8,16-dien-26-oic acid (CHEBI:202888) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6R)-2-methyl-4-oxo-6-[(3S,4R,5R,7S,10S,13R,14R,15S)-3,7,15-trihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-11-oxo-1,2,3,5,6,7,12,15-octahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Manual XrefsDatabases
78440917ChemSpider