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CHEBI:207363 - (22S,24E)-3beta,22-diacetoxy-7alpha,15alpha-dihydroxylanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:207363
ChEBI Name(22S,24E)-3beta,22-diacetoxy-7alpha,15alpha-dihydroxylanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O8
Net Charge0
Average Mass588.782
Monoisotopic Mass588.36622
SMILESCC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O
InChIInChI=1S/C34H52O8/c1-18(30(39)40)10-11-25(41-20(3)35)19(2)23-16-27(38)34(9)29-22(12-15-33(23,34)8)32(7)14-13-28(42-21(4)36)31(5,6)26(32)17-24(29)37/h10,19,23-28,37-38H,11-17H2,1-9H3,(H,39,40)/b18-10+/t19-,23+,24+,25-,26-,27-,28-,32+,33+,34-/m0/s1
InChIKeyYGIXGYUHDZWEHD-MYRFEEADSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies (ncbitaxon:1869158) - PubMed (28504879)
ChEBI Ontology
Outgoing Relation(s)
(22S,24E)-3beta,22-diacetoxy-7alpha,15alpha-dihydroxylanosta-8,24-dien-26-oic acid (CHEBI:207363) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3-acetyloxy-7,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78438944ChemSpider