(Q105326623)

English

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

group of stereoisomers with the chemical formula C₄₀H₃₆O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

708.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₃₆O₁₂

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canonical SMILES

O=C(C1=CC=C(O)C=C1O)C2C(C=C(C)CC2C3=CC=C(O)C=C3O)C4=C(O)C=C5OC6(C7=CC=C(O)C=C7OC6(O)C(=O)C5=C4O)CC=C(C)C

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isomeric SMILES

CC(C)=CC[C@]12Oc3cc(O)c(C4C=C(C)CC(c5ccc(O)cc5O)C4C(=O)c4ccc(O)cc4O)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12

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found in taxon

Morus

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stated in

Structure of Sanggenon C, a Natural Hypotensive Diels-Alder Adduct from Chinese Crude Drug “Sang-bái-pí” (Morus Root Bark)

Identifiers

InChI

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

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InChIKey

XETHJOZXBVWLLM-VUWKNMTLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XETHJOZXBVWLLM-VUWKNMTLSA-N

(Q105326623)

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

Statements

Identifiers

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