1YK

territrem B


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Chemical Component Summary

Nameterritrem B
Synonyms(4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione
Identifiersn/a
FormulaC29 H34 O9
Molecular Weight526.575
TypeNON-POLYMER
Isomeric SMILESC[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O
InChIInChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1
InChIKeyPBXNNDFKPQPJBB-VJLHXPKFSA-N

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count4
Bond Count76
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL24686
PubChem 114734
ChEMBL CHEMBL24686