CHEBI:182353 - [(5R,9As,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-6,7-dihydroxyocta-2,4-dienoate

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ChEBI Name [(5R,9As,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-6,7-dihydroxyocta-2,4-dienoate
ChEBI ID CHEBI:182353
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32O7
Net Charge 0
Average Mass 420.502
Monoisotopic Mass 420.21480
InChI InChI=1S/C23H32O7/c1-14(24)16(25)8-5-6-9-18(26)30-17-12-15-13-29-20(27)23(15,28)22(4)11-7-10-21(2,3)19(17)22/h5-6,8-9,12,14,16-17,19,24-25,28H,7,10-11,13H2,1-4H3/b8-5+,9-6+/t14?,16?,17-,19?,22+,23+/m1/s1
InChIKey AVBLSPPEZPLINV-LPUDELNJSA-N
SMILES O[C@@]12[C@@]3(C(C(CCC3)(C)C)[C@H](OC(=O)/C=C/C=C/C(O)C(O)C)C=C1COC2=O)C
ChEBI Ontology
Outgoing [(5R,9As,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-6,7-dihydroxyocta-2,4-dienoate (CHEBI:182353) is a naphthofuran (CHEBI:39270)
IUPAC Name
[(5R,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzouran-5-yl] (2E,4E)-6,7-dihydroxyocta-2,4-dienoate
Manual Xref Database
23550575 ChemSpider
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