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CHEBI:215124 - (24E)-3beta-acetoxy-7alpha,15alpha,26-trihydroxylanosta-8,24-diene

ChEBI IDCHEBI:215124
ChEBI Name(24E)-3beta-acetoxy-7alpha,15alpha,26-trihydroxylanosta-8,24-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H52O5
Net Charge0
Average Mass516.763
Monoisotopic Mass516.38147
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\C)CO)[C@@]1(C)CC3
InChIInChI=1S/C32H52O5/c1-19(18-33)10-9-11-20(2)23-16-26(36)32(8)28-22(12-15-31(23,32)7)30(6)14-13-27(37-21(3)34)29(4,5)25(30)17-24(28)35/h10,20,23-27,33,35-36H,9,11-18H2,1-8H3/b19-10+/t20-,23-,24-,25+,26+,27+,30-,31-,32+/m1/s1
InChIKeyDKHBZGYUAIVSIX-OKKMJKCISA-N
Species of MetaboliteComponentSourceComments
Ganoderma casuarinicola (ncbitaxon:2057914) - PubMed (31855780)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(24E)-3beta-acetoxy-7alpha,15alpha,26-trihydroxylanosta-8,24-diene (CHEBI:215124) is a bile acid (CHEBI:3098)
IUPAC Name 
[(3S,5R,7R,10S,13R,14R,15S,17R)-7,15-dihydroxy-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate