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CHEBI:227117 - (22S,24E)-3beta,22-7alpha-methoxy-3beta,15alpha,22-triacetoxylanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:227117
ChEBI Name(22S,24E)-3beta,22-7alpha-methoxy-3beta,15alpha,22-triacetoxylanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56O9
Net Charge0
Average Mass644.846
Monoisotopic Mass644.39243
SMILESCO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2
InChIInChI=1S/C37H56O9/c1-20(33(41)42)12-13-27(44-22(3)38)21(2)26-18-31(46-24(5)40)37(10)32-25(14-17-36(26,37)9)35(8)16-15-30(45-23(4)39)34(6,7)29(35)19-28(32)43-11/h12,21,26-31H,13-19H2,1-11H3,(H,41,42)/b20-12+/t21-,26+,27-,28+,29-,30-,31-,35+,36+,37-/m0/s1
InChIKeyGXKWNYCHKLAQPO-KGGJRMPESA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies BCC 16642 (ncbitaxon:1658744) - PubMed (26716912)
ChEBI Ontology
Outgoing Relation(s)
(22S,24E)-3beta,22-7alpha-methoxy-3beta,15alpha,22-triacetoxylanosta-8,24-dien-26-oic acid (CHEBI:227117) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-7-methoxy-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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