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CHEBI:205430 - 17(21)-hopen-12beta-ol

ChEBI IDCHEBI:205430
ChEBI Name17(21)-hopen-12beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILESCC(C)C1=C2CC[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1
InChIInChI=1S/C30H50O/c1-19(2)20-10-15-27(5)21(20)11-16-30(8)25(27)22(31)18-24-28(6)14-9-13-26(3,4)23(28)12-17-29(24,30)7/h19,22-25,31H,9-18H2,1-8H3/t22-,23+,24-,25-,27+,28+,29-,30-/m1/s1
InChIKeyOZBKZCYBEQKRAI-WKOWXSQSSA-N
Species of MetaboliteComponentSourceComments
Aschersonia (ncbitaxon:100986) - PubMed (20364867)
ChEBI Ontology
Outgoing Relation(s)
17(21)-hopen-12beta-ol (CHEBI:205430) is a hopanoid (CHEBI:51963)
IUPAC Name 
(5aR,5bR,7aS,11aS,11bR,13R,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-13-ol
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24670252ChemSpider