(Q105297530)

English

[(1R,4aR,6R,7S,7aR)-7-hydroxy-7-(hydroxymethyl)-6-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[7-hydroxy-7-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

624.24180596 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,4aS,6S,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-6-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,4aS,6S,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,4aR,6R,7S,7aR)-7-hydroxy-7-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₄₀O₁₄

0 references

canonical SMILES

O=C(OC1CC2C(=COC(OC(=O)CC(C)C)C2C1(O)CO)COC3OC(CO)C(O)C(O)C3O)C=CC4=CC=C(O)C=C4

0 references

isomeric SMILES

CC(C)CC(=O)O[C@H]1OC=C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C[C@@H](OC(=O)/C=C\c3ccc(O)cc3)[C@@](O)(CO)[C@H]12

0 references

found in taxon

Viburnum luzonicum

1 reference

stated in

Iridoid glucosides and p-coumaroyl iridoids from Viburnum luzonicum and their cytotoxicity

Identifiers

InChI

InChI=1S/C30H40O14/c1-15(2)9-23(35)44-28-24-19(17(12-40-28)13-41-29-27(38)26(37)25(36)20(11-31)42-29)10-21(30(24,39)14-32)43-22(34)8-5-16-3-6-18(33)7-4-16/h3-8,12,15,19-21,24-29,31-33,36-39H,9-11,13-14H2,1-2H3/b8-5-/t19-,20-,21+,24-,25-,26+,27-,28+,29-,30-/m0/s1

0 references

InChIKey

VUZLGISBPIEZOX-HVBJUCDKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VUZLGISBPIEZOX-HVBJUCDKSA-N

(Q105297530)

[(1R,4aR,6R,7S,7aR)-7-hydroxy-7-(hydroxymethyl)-6-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

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Identifiers

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