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CHEBI:213437 - 3beta,15beta-dihydroxy-7,11,23-trioxo-lanost-8,16-dien-26-oic acid methyl ester

Default Structure
ChEBI IDCHEBI:213437
ChEBI Name3beta,15beta-dihydroxy-7,11,23-trioxo-lanost-8,16-dien-26-oic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O7
Net Charge0
Average Mass528.686
Monoisotopic Mass528.30870
SMILESCOC(=O)C(C)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)(C)[C@@H]1CC3=O
InChIInChI=1S/C31H44O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h13,16-17,22-24,35-36H,9-12,14-15H2,1-8H3/t16-,17?,22+,23+,24-,29+,30-,31+/m1/s1
InChIKeyBWNCYMXQUKSKSJ-GTRNXXKXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma tropicum (ncbitaxon:36077) - PubMed (23421432)
ChEBI Ontology
Outgoing Relation(s)
3beta,15beta-dihydroxy-7,11,23-trioxo-lanost-8,16-dien-26-oic acid methyl ester (CHEBI:213437) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (6R)-6-[(3S,5R,10S,13R,14R,15R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate
Manual XrefsDatabases
78441514ChemSpider