CHEBI:216441 - 3beta,15alpha-dihydroxy-11,23-dioxo-5alpha-lanosta-8,16-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 3beta,15alpha-dihydroxy-11,23-dioxo-5alpha-lanosta-8,16-dien-26-oic acid
ChEBI ID CHEBI:216441
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O6
Net Charge 0
Average Mass 500.676
Monoisotopic Mass 500.31379
InChI InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h14,16-17,22-24,33-34H,8-13,15H2,1-7H3,(H,35,36)/t16-,17?,22+,23+,24+,28+,29-,30-/m1/s1
InChIKey RQDILRRBPSGCRC-ZWULQXGWSA-N
SMILES O=C1C2=C([C@@]3([C@@H](O)C=C([C@]3(C1)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C)CC[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Metabolite of Species Details
Ganoderma resinaceum (NCBI:txid34465) See: PubMed
ChEBI Ontology
Outgoing 3beta,15alpha-dihydroxy-11,23-dioxo-5alpha-lanosta-8,16-dien-26-oic acid (CHEBI:216441) is a triterpenoid (CHEBI:36615)
IUPAC Name
(6R)-6-[(3S,5R,10S,13R,14S,15S)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid