(Q104938969)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8C-substituted flavanone

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mass

692.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₃₆O₁₁

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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(O)OC=7C=CC=CC7C6(OC54)CC=C(C)C

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isomeric SMILES

CC(C)=CC[C@@]12Oc3c(c(O)cc(O)c3[C@@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)C(=O)[C@]1(O)Oc1ccccc12

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found in taxon

Morus cathayana

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stated in

Diels-Alder type adducts from Morus cathayana

Identifiers

InChI

InChI=1S/C40H36O11/c1-19(2)12-13-39-27-6-4-5-7-32(27)50-40(39,49)38(48)35-31(46)18-30(45)34(37(35)51-39)26-15-20(3)14-25(23-10-8-21(41)16-28(23)43)33(26)36(47)24-11-9-22(42)17-29(24)44/h4-12,15-18,25-26,33,41-46,49H,13-14H2,1-3H3/t25-,26-,33-,39+,40+/m1/s1

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InChIKey

BNQCNJCTHKOBKY-NNLMJVJUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BNQCNJCTHKOBKY-NNLMJVJUSA-N

(Q104938969)

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

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Identifiers

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