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CHEBI:211760 - Hopane-6alpha,16alpha,22-triol

ChEBI IDCHEBI:211760
ChEBI NameHopane-6alpha,16alpha,22-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O3
Net Charge0
Average Mass460.743
Monoisotopic Mass460.39165
SMILESCC1(C)CCC[C@@]2(C)C1[C@@H](O)C[C@]1(C)C2CCC2[C@@]3(C)CC[C@H](C(C)(C)O)C3[C@H](O)C[C@]21C
InChIInChI=1S/C30H52O3/c1-25(2)13-9-14-28(6)22-11-10-21-27(5)15-12-18(26(3,4)33)23(27)19(31)16-29(21,7)30(22,8)17-20(32)24(25)28/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21?,22?,23?,24?,27+,28+,29+,30+/m0/s1
InChIKeyCMCOTUOUAOOHNL-MNQFFLFYSA-N
Species of MetaboliteComponentSourceComments
Parmotrema sancti-angelii (ncbitaxon:1874036) - DOI (10.1177/1934578X19858208)
ChEBI Ontology
Outgoing Relation(s)
Hopane-6alpha,16alpha,22-triol (CHEBI:211760) is a hopanoid (CHEBI:51963)
IUPAC Name 
(3S,4R,5aR,5bR,7S,11aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7-diol