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CHEBI:198336 - Hopene

ChEBI IDCHEBI:198336
ChEBI NameHopene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O
Net Charge0
Average Mass454.783
Monoisotopic Mass454.41747
SMILESCC(CCCO)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5C=C[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C32H54O/c1-22(10-8-21-33)23-13-18-29(4)24(23)14-19-31(6)26(29)11-12-27-30(5)17-9-16-28(2,3)25(30)15-20-32(27,31)7/h15,20,22-27,33H,8-14,16-19,21H2,1-7H3/t22?,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1
InChIKeyVXEJZIAQQHPIHP-BPLMESIISA-N
Species of MetaboliteComponentSourceComments
Burkholderia cepacia (ncbitaxon:292) - DOI (10.1016/s0378-1097(00)00006-9)
ChEBI Ontology
Outgoing Relation(s)
Hopene (CHEBI:198336) is a hopanoid (CHEBI:51963)
IUPAC Name 
4-[(3R,3aS,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]pentan-1-ol
Manual XrefsDatabases
78436347ChemSpider