CHEBI:207305 - (24E)-15alpha-acetoxy-3beta-hydroxylanosta-8,24-dien-26-oic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (24E)-15alpha-acetoxy-3beta-hydroxylanosta-8,24-dien-26-oic acid
ChEBI ID CHEBI:207305
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H50O5
Net Charge 0
Average Mass 514.747
Monoisotopic Mass 514.36582
InChI InChI=1S/C32H50O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11,19,24-27,34H,9-10,12-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,26+,27+,30-,31-,32-/m1/s1
InChIKey QPNAEUGAZQASJW-FKJOTFDOSA-N
SMILES O=C(O)/C(=C/CC[C@H]([C@@H]1[C@@]2([C@@](C3=C([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)CC2)(C)[C@H](C1)OC(=O)C)C)C)/C
Metabolite of Species Details
Ganodermaspecies (NCBI:txid1869158) See: PubMed
ChEBI Ontology
Outgoing (24E)-15alpha-acetoxy-3beta-hydroxylanosta-8,24-dien-26-oic acid (CHEBI:207305) is a triterpenoid (CHEBI:36615)
IUPAC Name
(E,6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-15-acetyloxy-3-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 Xref Database
78438935 ChemSpider
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