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CHEBI:224256 - Phomanolide F

ChEBI IDCHEBI:224256
ChEBI NamePhomanolide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O8
Net Charge0
Average Mass552.664
Monoisotopic Mass552.27232
SMILESCc1cc(O)cc2c1C[C@H]1CC(C)(C)/C=C/C[C@]3(C)OC4=CC(=O)O[C@]5(C)CC(=O)O[C@]45C[C@H]3C[C@H](O)[C@@]1(C)O2
InChIInChI=1S/C32H40O8/c1-18-10-21(33)13-23-22(18)11-20-15-28(2,3)8-7-9-29(4)19(12-24(34)31(20,6)37-23)16-32-25(38-29)14-26(35)39-30(32,5)17-27(36)40-32/h7-8,10,13-14,19-20,24,33-34H,9,11-12,15-17H2,1-6H3/b8-7+/t19-,20+,24+,29+,30-,31+,32-/m1/s1
InChIKeyAYDNCQNYXLTSGO-SGVDRFPRSA-N
ChEBI Ontology
Outgoing Relation(s)
Phomanolide F (CHEBI:224256) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1R,3S,4S,13R,16E,19S,25R,29S)-3,8-dihydroxy-4,10,15,15,19,25-hexamethyl-5,20,24,28-tetraoxahexacyclo[17.11.0.04,13.06,11.021,29.025,29]triaconta-6(11),7,9,16,21-pentaene-23,27-dione