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CHEBI:227123 - (24E)-3beta-acetoxy-15alpha-hydroxy-7alpha-methoxylanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:227123
ChEBI Name(24E)-3beta-acetoxy-15alpha-hydroxy-7alpha-methoxylanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H52O6
Net Charge0
Average Mass544.773
Monoisotopic Mass544.37639
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](O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC2
InChIInChI=1S/C33H52O6/c1-19(11-10-12-20(2)29(36)37)23-17-26(35)33(8)28-22(13-16-32(23,33)7)31(6)15-14-27(39-21(3)34)30(4,5)25(31)18-24(28)38-9/h12,19,23-27,35H,10-11,13-18H2,1-9H3,(H,36,37)/b20-12+/t19-,23-,24-,25+,26+,27+,31-,32-,33+/m1/s1
InChIKeyDOGNEMJACWRRLK-DCLLEOEPSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies BCC 16642 (ncbitaxon:1658744) - PubMed (26716912)
ChEBI Ontology
Outgoing Relation(s)
(24E)-3beta-acetoxy-15alpha-hydroxy-7alpha-methoxylanosta-8,24-dien-26-oic acid (CHEBI:227123) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3-acetyloxy-15-hydroxy-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
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58914776ChemSpider