(Q82912658)

English

5-Ethenyl-3-[4-hydroxy-8-(4-hydroxyphenyl)-2,6-dioxooctyl]-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl hexopyranoside

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

biogenic alkylphenol

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mass

606.2312412759999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₃₈O₁₃

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canonical SMILES

O=C1OC(CC(=O)CC(O)CC(=O)CCC2=CC=C(O)C=C2)CC3C1=COC(OC4OC(CO)C(O)C(O)C4O)C3C=C

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isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C2C(=O)OC(CC(=O)C[C@@H](O)CC(=O)CCc3ccc(O)cc3)C[C@H]21

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Identifiers

InChI

InChI=1S/C30H38O13/c1-2-21-22-12-20(11-19(35)10-18(34)9-17(33)8-5-15-3-6-16(32)7-4-15)41-28(39)23(22)14-40-29(21)43-30-27(38)26(37)25(36)24(13-31)42-30/h2-4,6-7,14,18,20-22,24-27,29-32,34,36-38H,1,5,8-13H2/t18-,20?,21+,22-,24+,25+,26+,27+,29-,30-/m0/s1

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InChIKey

NRVMYJKCFMJRML-LACQVYASSA-N

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1 reference

matched by identifier from

InChIKey

NRVMYJKCFMJRML-LACQVYASSA-N

1 reference

1 reference

matched by identifier from

InChIKey

NRVMYJKCFMJRML-LACQVYASSA-N

DSSTOX compound identifier

DTXCID301365066

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(Q82912658)

5-Ethenyl-3-[4-hydroxy-8-(4-hydroxyphenyl)-2,6-dioxooctyl]-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl hexopyranoside

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Identifiers

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