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CHEBI:227134 - (22S,24E)-3beta,22-diacetoxylanosta-7,9(11),24-trien-26-oic acid

Default Structure
ChEBI IDCHEBI:227134
ChEBI Name(22S,24E)-3beta,22-diacetoxylanosta-7,9(11),24-trien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H50O6
Net Charge0
Average Mass554.768
Monoisotopic Mass554.36074
SMILESCC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C34H50O6/c1-20(30(37)38)10-12-27(39-22(3)35)21(2)24-14-18-34(9)26-11-13-28-31(5,6)29(40-23(4)36)16-17-32(28,7)25(26)15-19-33(24,34)8/h10-11,15,21,24,27-29H,12-14,16-19H2,1-9H3,(H,37,38)/b20-10+/t21-,24+,27-,28-,29-,32+,33+,34-/m0/s1
InChIKeyRXLRLJSRXDHQCH-AERNORENSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies BCC 16642 (ncbitaxon:1658744) - PubMed (26716912)
ChEBI Ontology
Outgoing Relation(s)
(22S,24E)-3beta,22-diacetoxylanosta-7,9(11),24-trien-26-oic acid (CHEBI:227134) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-6-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
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58914778ChemSpider