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CHEBI:226188 - 6-deoxytolypodiol

Default Structure
ChEBI IDCHEBI:226188
ChEBI Name6-deoxytolypodiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILESCOC(=O)c1ccc2c(c1)C[C@H]1[C@]3(C)CC[C@H]4C(C)(C)CC[C@@H](O)[C@]4(C)[C@H]3CC[C@]1(C)O2
InChIInChI=1S/C28H40O4/c1-25(2)12-11-23(29)28(5)20(25)9-13-26(3)21(28)10-14-27(4)22(26)16-18-15-17(24(30)31-6)7-8-19(18)32-27/h7-8,15,20-23,29H,9-14,16H2,1-6H3/t20-,21-,22-,23+,26+,27-,28-/m0/s1
InChIKeyXNFPFYUEZQFCLA-WAEYBDIKSA-N
ChEBI Ontology
Outgoing Relation(s)
6-deoxytolypodiol (CHEBI:226188) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (1R,2S,11S,14S,15S,16R,20S)-16-hydroxy-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
Manual XrefsDatabases
84285766ChemSpider