(Q105219044)

English

(1R,4aR,6R,7S,7aR)-6,7-dihydroxy-4-(hydroxymethyl)-7-({[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6,7-dihydroxy-4-(hydroxymethyl)-7-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

462.18898254 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4aR,6R,7S,7aR)-6,7-dihydroxy-4-(hydroxymethyl)-7-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate

1 reference

1 reference

C₂₄H₃₀O₉

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canonical SMILES

O=C(OCC1(O)C(O)CC2C(=COC(OC(=O)CC(C)C)C21)CO)C=CC3=CC=C(O)C=C3

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isomeric SMILES

CC(C)CC(=O)O[C@H]1OC=C(CO)[C@@H]2C[C@@H](O)[C@@](O)(COC(=O)/C=C\c3ccc(O)cc3)[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/C24H30O9/c1-14(2)9-21(29)33-23-22-18(16(11-25)12-31-23)10-19(27)24(22,30)13-32-20(28)8-5-15-3-6-17(26)7-4-15/h3-8,12,14,18-19,22-23,25-27,30H,9-11,13H2,1-2H3/b8-5-/t18-,19+,22-,23+,24-/m0/s1

(Q105219044)

(1R,4aR,6R,7S,7aR)-6,7-dihydroxy-4-(hydroxymethyl)-7-({[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate

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Identifiers

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