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CHEBI:214270 - Lanosta-7,9(11)-dien-3b-acetyloxy-24,26-dihydroxy-25-methoxy

Default Structure
ChEBI IDCHEBI:214270
ChEBI NameLanosta-7,9(11)-dien-3b-acetyloxy-24,26-dihydroxy-25-methoxy
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O5
Net Charge0
Average Mass530.790
Monoisotopic Mass530.39712
SMILESCOC(C)(CO)C(O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C33H54O5/c1-21(10-13-27(36)33(8,20-34)37-9)23-14-18-32(7)25-11-12-26-29(3,4)28(38-22(2)35)16-17-30(26,5)24(25)15-19-31(23,32)6/h11,15,21,23,26-28,34,36H,10,12-14,16-20H2,1-9H3/t21-,23-,26+,27?,28+,30-,31-,32+,33?/m1/s1
InChIKeyXBPRUSXYIYANFN-IKXQAHDVSA-N
Species of MetaboliteComponentSourceComments
Haddowia longipes (ncbitaxon:1579230) - PubMed (25577284)
ChEBI Ontology
Outgoing Relation(s)
Lanosta-7,9(11)-dien-3b-acetyloxy-24,26-dihydroxy-25-methoxy (CHEBI:214270) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(3S,5R,10S,13R,14R,17R)-17-[(2R)-5,7-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Manual XrefsDatabases
78442317ChemSpider