(Q104397800)

English

[(1R,2R)-1-[(15S,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-1,3-dihydroxypropan-2-yl] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₂₇H₂₂O₁₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

634.080613864 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₂₂O₁₈

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canonical SMILES

O=C(OC(CO)C(O)C1OC(=O)C=2C=C(O)C(O)=C(O)C2C3=C(O)C(O)=C(O)C4=C3C(=O)OC1C4O)C5=CC(O)=C(O)C(O)=C5

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isomeric SMILES

O=C(O[C@H](CO)[C@@H](O)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)O[C@H]1[C@H]3O)c1cc(O)c(O)c(O)c1

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Identifiers

InChI

InChI=1S/C27H22O18/c28-4-10(43-25(40)5-1-7(29)15(32)8(30)2-5)17(34)23-24-21(38)14-13(27(42)45-24)12(19(36)22(39)20(14)37)11-6(26(41)44-23)3-9(31)16(33)18(11)35/h1-3,10,17,21,23-24,28-39H,4H2/t10-,17-,21+,23?,24+/m1/s1

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InChIKey

TXPZOUVETLGUPE-WRIXPRPPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

TXPZOUVETLGUPE-WRIXPRPPSA-N

1 reference

(Q104397800)

[(1R,2R)-1-[(15S,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-1,3-dihydroxypropan-2-yl] 3,4,5-trihydroxybenzoate

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