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CHEBI:198251 - Lanosta-8-en-7,11-dioxo-3beta-acetyloxy-24,25,26-trihydroxy

Default Structure
ChEBI IDCHEBI:198251
ChEBI NameLanosta-8-en-7,11-dioxo-3beta-acetyloxy-24,25,26-trihydroxy
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O7
Net Charge0
Average Mass546.745
Monoisotopic Mass546.35565
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC(O)C(C)(O)CO)[C@@]1(C)CC3=O
InChIInChI=1S/C32H50O7/c1-18(9-10-24(37)32(8,38)17-33)20-11-14-30(6)27-21(35)15-23-28(3,4)25(39-19(2)34)12-13-29(23,5)26(27)22(36)16-31(20,30)7/h18,20,23-25,33,37-38H,9-17H2,1-8H3/t18-,20-,23+,24?,25+,29+,30+,31-,32?/m1/s1
InChIKeyDVZLNLQHYICGFH-ZMPJFOOASA-N
Species of MetaboliteComponentSourceComments
Haddowia longipes (ncbitaxon:1579230) - PubMed (25577284)
ChEBI Ontology
Outgoing Relation(s)
Lanosta-8-en-7,11-dioxo-3beta-acetyloxy-24,25,26-trihydroxy (CHEBI:198251) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-7,11-dioxo-17-[(2R)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Manual XrefsDatabases
78442271ChemSpider