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CHEBI:226193 - 11-hydroxytolypodiol

ChEBI IDCHEBI:226193
ChEBI Name11-hydroxytolypodiol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O6
Net Charge0
Average Mass472.622
Monoisotopic Mass472.28249
SMILESCOC(=O)c1ccc2c(c1)C[C@H]1[C@]3(C)C[C@@H](O)[C@H]4C(C)(C)CC[C@@H](O)[C@]4(C)[C@H]3[C@@H](O)C[C@]1(C)O2
InChIInChI=1S/C28H40O6/c1-25(2)10-9-21(31)28(5)22(25)17(29)13-26(3)20-12-16-11-15(24(32)33-6)7-8-19(16)34-27(20,4)14-18(30)23(26)28/h7-8,11,17-18,20-23,29-31H,9-10,12-14H2,1-6H3/t17-,18+,20+,21-,22+,23+,26+,27+,28+/m1/s1
InChIKeyGHWVOKQFEBHUQZ-MNORRYNNSA-N
ChEBI Ontology
Outgoing Relation(s)
11-hydroxytolypodiol (CHEBI:226193) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (1R,2S,11S,13S,14S,15S,16R,20S,21R)-13,16,21-trihydroxy-1,11,15,19,19-pentamethyl-10-oxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),5,7-triene-6-carboxylate
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84285767ChemSpider