(Q105104556)

English

(2,4-dihydroxyphenyl)-[(2R,4R,5S)-5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[[4-hydroxy-2-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]phenyl]methyl]oxolan-3-yl]methanone

group of stereoisomers with the chemical formula C₄₅H₃₈O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

786.231241276 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₅H₃₈O₁₃

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canonical SMILES

O=C(C1=CC=C(O)C=C1O)C2C(OC(C3=CC=C(O)C=C3O)C2CC4=CC=C(O)C=C4C=5C(O)=CC(O)=C6C5OC(C7=CC=C(O)C=C7)C(O)C6)C8=CC=C(O)C=C8

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isomeric SMILES

O=C(c1ccc(O)cc1O)C1[C@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2O)[C@@H]1Cc1ccc(O)cc1-c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2

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found in taxon

Ochna calodendron

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stated in

Triflavonoids of Ochna calodendron

stated in

Triflavonoids of Ochna calodendron

Identifiers

InChI

InChI=1S/C45H38O13/c46-24-6-1-21(2-7-24)42-38(55)19-32-36(53)20-37(54)39(45(32)57-42)31-16-26(48)10-5-23(31)15-33-40(41(56)29-13-11-27(49)17-34(29)51)43(22-3-8-25(47)9-4-22)58-44(33)30-14-12-28(50)18-35(30)52/h1-14,16-18,20,33,38,40,42-44,46-55H,15,19H2/t33-,38+,40?,42-,43+,44-/m1/s1

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InChIKey

DWBDICHRNDNBMT-YGZGMKOYSA-N

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17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DWBDICHRNDNBMT-YGZGMKOYSA-N

1 reference

(Q105104556)

(2,4-dihydroxyphenyl)-[(2R,4R,5S)-5-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[[4-hydroxy-2-[(2R,3S)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]phenyl]methyl]oxolan-3-yl]methanone

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Identifiers

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