CHEBI:217368 - methyl (1S,2S,11R,12S,14R,17R,19S,21R)-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-1-carboxylate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name methyl (1S,2S,11R,12S,14R,17R,19S,21R)-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-1-carboxylate
ChEBI ID CHEBI:217368
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32O8
Net Charge 0
Average Mass 472.534
Monoisotopic Mass 472.20972
InChI InChI=1S/C26H32O8/c1-12-14-10-17(27)34-23(3,4)15(14)8-9-25(6)16(12)11-24(5)18-20(33-21(24)29)32-13(2)19(28)26(18,25)22(30)31-7/h8,10,12-13,16,18,20H,9,11H2,1-7H3/t12-,13-,16-,18+,20+,24+,25-,26-/m0/s1
InChIKey SIVCLZDXDQOGGV-QECPTJQYSA-N
SMILES O=C1OC(C2=CC[C@]3([C@H]([C@H](C2=C1)C)C[C@]4(C(=O)O[C@@H]5[C@H]4[C@]3(C(=O)[C@@H](O5)C)C(=O)OC)C)C)(C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing methyl (1S,2S,11R,12S,14R,17R,19S,21R)-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-1-carboxylate (CHEBI:217368) is a furopyran (CHEBI:74927)
IUPAC Name
methyl (1S,2S,11R,12S,14R,17R,19S,21R)-2,6,6,11,14,19-hexamethyl-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-1-carboxylate