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CHEBI:200926 - 17(21)-hopene-6alpha,12beta-diol

ChEBI IDCHEBI:200926
ChEBI Name17(21)-hopene-6alpha,12beta-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILESCC(C)C1=C2CC[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@]2(C)CC1
InChIInChI=1S/C30H50O2/c1-18(2)19-10-14-27(5)20(19)11-15-29(7)25(27)21(31)16-23-28(6)13-9-12-26(3,4)24(28)22(32)17-30(23,29)8/h18,21-25,31-32H,9-17H2,1-8H3/t21-,22+,23-,24+,25-,27+,28-,29-,30-/m1/s1
InChIKeyPIYOHPNMTFGCSD-QABYISBDSA-N
Species of MetaboliteComponentSourceComments
Aschersonia (ncbitaxon:100986) - PubMed (20364867)
ChEBI Ontology
Outgoing Relation(s)
17(21)-hopene-6alpha,12beta-diol (CHEBI:200926) is a hopanoid (CHEBI:51963)
IUPAC Name 
(5aR,5bR,7S,7aS,11aR,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]chrysene-7,13-diol
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24672509ChemSpider