Summary

Molecular formula: C44H32O12
SMILES: CC(=O)c1cc2c(cc1O)OC1=C(CCC(C21)(c1cc2c(o1)cc(c(c2)C(=O)C)O)c1cc2c(o1)cc(c(c2)C(=O)C)O)c1cc2c(o1)cc(c(c2)C(=O)C)O
InChI: InChI=1S/C44H32O12/c1-18(45)26-7-22-10-38(53-35(22)14-31(26)49)25-5-6-44(40-11-23-8-27(19(2)46)32(50)15-36(23)54-40,41-12-24-9-28(20(3)47)33(51)16-37(24)55-41)42-30-13-29(21(4)48)34(52)17-39(30)56-43(25)42/h7-17,42,49-52H,5-6H2,1-4H3
InChIKey: SGSHORQVHJQLLG-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC1=C(c3cc4ccccc4o3)CCC(c3cc4ccccc4o3)(c3cc4ccccc4o3)C12

Scaffold Graph/Node level:
C1CCC2OC(C3CCC(C4CC5CCCCC5O4)(C4CC5CCCCC5O4)C4C5CCCCC5OC34)CC2C1

Scaffold Graph level:
C1CCC2CC(C3CCC(C4CC5CCCCC5C4)(C4CC5CCCCC5C4)C4C5CCCCC5CC34)CC2C1

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Benzofurans

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Synonymous chemical names:
laetirobin

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External chemical identifiers:
CID_46186816; NPATLAS_NPA013781; CHEMSPIDER_24661962

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Chemical structure download