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CHEBI:227166 - (24E)-3beta-acetoxy-7alpha-hydroxylanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:227166
ChEBI Name(24E)-3beta-acetoxy-7alpha-hydroxylanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O5
Net Charge0
Average Mass514.747
Monoisotopic Mass514.36582
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3
InChIInChI=1S/C32H50O5/c1-19(10-9-11-20(2)28(35)36)22-12-17-32(8)27-23(13-16-31(22,32)7)30(6)15-14-26(37-21(3)33)29(4,5)25(30)18-24(27)34/h11,19,22,24-26,34H,9-10,12-18H2,1-8H3,(H,35,36)/b20-11+/t19-,22-,24-,25+,26+,30-,31-,32+/m1/s1
InChIKeyBYWFQQNFDABJID-WVRIUMHUSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies BCC 16642 (ncbitaxon:1658744) - PubMed (26716912)
ChEBI Ontology
Outgoing Relation(s)
(24E)-3beta-acetoxy-7alpha-hydroxylanosta-8,24-dien-26-oic acid (CHEBI:227166) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(3S,5R,7R,10S,13R,14R,17R)-3-acetyloxy-7-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-methylhept-2-enoic acid
Manual XrefsDatabases
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