(Q110186398)

English

(2R,3S,4R,5R,6S)-2-{4-[4-(3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₄H₄₆O₁₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

742.2684146320001 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₄H₄₆O₁₈

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canonical SMILES

OCC1OC(OC2=C(OC)C=C(C=C2OC)C3OCC4C(OCC34)C5=CC(OC)=C(OC6OC(CO)C(O)C(O)C6O)C(OC)=C5)C(O)C(O)C1O

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isomeric SMILES

COc1cc(C2OCC3C(c4cc(OC)c(O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)c(OC)c4)OCC23)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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Identifiers

InChI

InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15?,16?,21-,22+,23-,24+,25+,26-,27-,28+,29?,30?,33+,34-

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InChIKey

FFDULTAFAQRACT-RGFZIUCCSA-N

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PubChem CID

3084742

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

FFDULTAFAQRACT-RGFZIUCCSA-N

1 reference

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(Q110186398)

(2R,3S,4R,5R,6S)-2-{4-[4-(3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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