(Q105151888)

English

(5aS,10aS)-4-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-[6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexenyl]-5a,10a-dihydro-1,3,5a,8-tetrahydroxy-10a-(3-methyl-2-butenyl)-11H-benzofuro[3,2-b][1]benzopyran-11-one

1 reference

based on heuristic

inferred from SMILES

mass

708.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(5aS,10aR)-4-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₃₆O₁₂

0 references

canonical SMILES

O=C(C1=CC=C(O)C=C1O)C2C(C=C(C)CC2C3=CC=C(O)C=C3O)C=4C(O)=CC(O)=C5C(=O)C6(OC7=CC(O)=CC=C7C6(O)OC54)CC=C(C)C

0 references

isomeric SMILES

CC(C)=CC[C@@]12Oc3cc(O)ccc3[C@]1(O)Oc1c(c(O)cc(O)c1[C@H]1C=C(C)C[C@H](c3ccc(O)cc3O)[C@H]1C(=O)c1ccc(O)cc1O)C2=O

0 references

found in taxon

Morus cathayana

1 reference

stated in

Components of the Root Bark of Morus cathayana. 1. Structures of Five New Isoprenylated Flavonoids, Sanggenols A - E and a Diprenyl-2-arylbenzofuran, Mulberrofuran V

Identifiers

InChI

InChI=1S/C40H36O12/c1-18(2)10-11-39-38(49)35-31(47)17-30(46)34(37(35)52-40(39,50)27-9-6-22(43)16-32(27)51-39)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(48)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-47,50H,11-12H2,1-3H3/t25-,26+,33-,39+,40+/m1/s1

0 references

InChIKey

LHPRLOAEYJFDCW-HCAFVXMDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LHPRLOAEYJFDCW-HCAFVXMDSA-N

(Q105151888)

(5aS,10aS)-4-[(1S,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

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