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CHEBI:224246 - Phomanolide D

ChEBI IDCHEBI:224246
ChEBI NamePhomanolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O9
Net Charge0
Average Mass580.674
Monoisotopic Mass580.26723
SMILESCC1=CC(=O)O[C@@]23CC(=O)O[C@@]12C[C@H]1C[C@H](O)[C@@]2(C)Oc4cc(=O)c(O)cc(C)c4C[C@H]2CC(C)(C)/C=C/C[C@]1(C)O3
InChIInChI=1S/C33H40O9/c1-18-10-23(34)24(35)14-25-22(18)12-21-15-29(3,4)8-7-9-30(5)20(13-26(36)31(21,6)39-25)16-32-19(2)11-27(37)41-33(32,42-30)17-28(38)40-32/h7-8,10-11,14,20-21,26,36H,9,12-13,15-17H2,1-6H3,(H,34,35)/b8-7+/t20-,21+,26+,30+,31+,32+,33-/m1/s1
InChIKeyBOBQWSXZKOPXBP-NJLQBLLISA-N
ChEBI Ontology
Outgoing Relation(s)
Phomanolide D (CHEBI:224246) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,3R,5S,6S,16R,19E,22S,24S)-5,11-dihydroxy-6,13,18,18,22,28-hexamethyl-7,23,25,29-tetraoxahexacyclo[22.4.3.01,24.03,22.06,16.08,14]hentriaconta-8,11,13,19,27-pentaene-10,26,30-trione