(Q105289003)

English

methyl (1S,4aS,6S,7aR)-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-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-hydroxyphenyl)prop-2-enoyloxymethyl]-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

536.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4aS,6S,7aR)-6-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₂O₁₂

0 references

canonical SMILES

O=C(OCC1CC2C(=COC(OC3OC(CO)C(O)C(O)C3O)C2C1)C(=O)OC)C=CC4=CC=C(O)C=C4

0 references

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]2C[C@@H](COC(=O)/C=C/c3ccc(O)cc3)C[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/C26H32O12/c1-34-24(33)18-12-36-25(38-26-23(32)22(31)21(30)19(10-27)37-26)17-9-14(8-16(17)18)11-35-20(29)7-4-13-2-5-15(28)6-3-13/h2-7,12,14,16-17,19,21-23,25-28,30-32H,8-11H2,1H3/b7-4+/t14-,16-,17+,19+,21+,22-,23+,25-,26-/m0/s1

0 references

InChIKey

VMJDMSMQKSZRIP-KNARATJJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VMJDMSMQKSZRIP-KNARATJJSA-N

1 reference

(Q105289003)

methyl (1S,4aS,6S,7aR)-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-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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