(Q105337978)

English

methyl (1S,4aS,6S,7R,7aS)-6-[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

566.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-6alpha-[[(E)-3-(3-methoxy-4-hydroxyphenyl)acryloyl]oxy]-7alpha-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₄O₁₃

0 references

canonical SMILES

O=C(OC1CC2C(=COC(OC3OC(CO)C(O)C(O)C3O)C2C1C)C(=O)OC)C=CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](OC(=O)/C=C\c1ccc(O)c(OC)c1)[C@@H]2C

0 references

found in taxon

Lonicera insularis

1 reference

stated in

7-feruloylloganin: an iridoid glucoside from stems of Lonicera insularis

Lonicera morrowii

1 reference

stated in

7-feruloylloganin: an iridoid glucoside from stems of Lonicera insularis

Identifiers

InChI

InChI=1S/C27H34O13/c1-12-17(38-20(30)7-5-13-4-6-16(29)18(8-13)35-2)9-14-15(25(34)36-3)11-37-26(21(12)14)40-27-24(33)23(32)22(31)19(10-28)39-27/h4-8,11-12,14,17,19,21-24,26-29,31-33H,9-10H2,1-3H3/b7-5-/t12-,14+,17-,19+,21+,22+,23-,24+,26-,27-/m0/s1

0 references

InChIKey

XOWVMKHUWDJUHZ-CHHYLKMXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XOWVMKHUWDJUHZ-CHHYLKMXSA-N

(Q105337978)

methyl (1S,4aS,6S,7R,7aS)-6-[(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

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