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CHEBI:212234 - 2beta-Methyldiplopterol

ChEBI IDCHEBI:212234
ChEBI Name2beta-Methyldiplopterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H54O
Net Charge0
Average Mass442.772
Monoisotopic Mass442.41747
SMILESC[C@@H]1CC(C)(C)C2CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](C(C)(C)O)C5CC[C@]43C)[C@@]2(C)C1
InChIInChI=1S/C31H54O/c1-20-18-26(2,3)23-14-17-31(9)25(29(23,7)19-20)11-10-24-28(6)15-12-21(27(4,5)32)22(28)13-16-30(24,31)8/h20-25,32H,10-19H2,1-9H3/t20-,21+,22?,23?,24?,25?,28+,29+,30-,31-/m1/s1
InChIKeyLVYYDGVGABMKTF-DYCGTRNESA-N
Species of MetaboliteComponentSourceComments
Methylobacteriumspecies (ncbitaxon:409) - DOI (10.1099/00221287-140-10-2755)
ChEBI Ontology
Outgoing Relation(s)
2beta-Methyldiplopterol (CHEBI:212234) is a hopanoid (CHEBI:51963)
IUPAC Name 
2-[(3S,5aR,5bR,10R,11aS,13bS)-5a,5b,8,8,10,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-ol
Manual XrefsDatabases
78445472ChemSpider