CHEBI:206724 - 12beta-acetoxy-3beta,28-dihydroxy-7,11,15,23-tetraoxo-5alpha-lanosta-8-en-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 12beta-acetoxy-3beta,28-dihydroxy-7,11,15,23-tetraoxo-5alpha-lanosta-8-en-26-oic acid
ChEBI ID CHEBI:206724
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H44O10
Net Charge 0
Average Mass 588.694
Monoisotopic Mass 588.29345
InChI InChI=1S/C32H44O10/c1-15(10-18(35)11-16(2)28(40)41)19-12-23(38)32(7)24-20(36)13-21-29(4,9-8-22(37)30(21,5)14-33)25(24)26(39)27(31(19,32)6)42-17(3)34/h15-16,19,21-22,27,33,37H,8-14H2,1-7H3,(H,40,41)/t15?,16?,19-,21-,22+,27-,29+,30+,31+,32+/m1/s1
InChIKey MHJXWOKOCVEOMZ-AJCXZUJNSA-N
SMILES O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CC[C@@H]([C@]3(CO)C)O)C)[C@@]4(C(=O)C[C@@H]([C@]4([C@@H]1OC(=O)C)C)C(CC(=O)CC(C(=O)O)C)C)C
Metabolite of Species Details
Ganoderma lucidum (NCBI:txid5315) See: PubMed
ChEBI Ontology
Outgoing 12beta-acetoxy-3beta,28-dihydroxy-7,11,15,23-tetraoxo-5alpha-lanosta-8-en-26-oic acid (CHEBI:206724) is a triterpenoid (CHEBI:36615)
IUPAC Name
6-[(3S,4R,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid