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CHEBI:215316 - 3beta-hydroxy-12beta-acetoxy-7,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester

Default Structure
ChEBI IDCHEBI:215316
ChEBI Name3beta-hydroxy-12beta-acetoxy-7,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44O9
Net Charge0
Average Mass584.706
Monoisotopic Mass584.29853
SMILESCOC(=O)C(C)CC(=O)/C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C33H44O9/c1-16(12-19(35)13-17(2)29(40)41-9)20-14-24(38)33(8)25-21(36)15-22-30(4,5)23(37)10-11-31(22,6)26(25)27(39)28(32(20,33)7)42-18(3)34/h12,17,20,22-23,28,37H,10-11,13-15H2,1-9H3/b16-12+/t17?,20-,22+,23+,28-,31+,32+,33+/m1/s1
InChIKeyHZULDJUBKUUQIE-NASQJITCSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (32062196)
ChEBI Ontology
Outgoing Relation(s)
3beta-hydroxy-12beta-acetoxy-7,11,15,23-tetraoxolanosta-8,20E(22)-dien-26-oic acid methyl ester (CHEBI:215316) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl (E)-6-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoate