CHEBI:205090 - 3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-di-hydroxy-2,2,7-trimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione

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ChEBI Name 3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-di-hydroxy-2,2,7-trimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione
ChEBI ID CHEBI:205090
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32Cl2O6
Net Charge 0
Average Mass 511.440
Monoisotopic Mass 510.15759
InChI InChI=1S/C26H32Cl2O6/c1-12-15(29)9-13-19(20(12)30)21(31)14-10-18(28)24(4,5)34-26(14,22(13)32)11-16-23(2,3)17(27)7-8-25(16,6)33/h9-10,16-18,29-30,33H,7-8,11H2,1-6H3/t16-,17-,18+,25-,26+/m0/s1
InChIKey WDLIKJQSDJDSIK-UXDSUYCGSA-N
SMILES Cl[C@@H]1C=C2C(=O)C3=C(O)C(=C(O)C=C3C([C@]2(C[C@@H]4[C@@](O)(CC[C@@H](C4(C)C)Cl)C)OC1(C)C)=O)C
ChEBI Ontology
Outgoing 3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-di-hydroxy-2,2,7-trimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione (CHEBI:205090) is a organic heterotricyclic compound (CHEBI:26979)
3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-di-hydroxy-2,2,7-trimethyl-3,10a-dihydro-2H-benzo[g]chromene-5,10-dione (CHEBI:205090) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,10aR)-3-chloro-10a-[[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-3H-benzo[g]chromene-5,10-dione
Manual Xref Database
9641220 ChemSpider
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