(Q105125887)

English

[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] 3-(4-methoxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[4a,5-Dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] 3-(4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

524.189376464 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

8-O-p-Methoxy-cis-cinnamoylharpagide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (Z)-3-(4-methoxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

8-O-p-Methoxy-trans-cinnamoylharpagide

1 reference

based on heuristic

inferred from InChI

[(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₂O₁₂

0 references

canonical SMILES

O=C(OC1(C)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C21)C=CC4=CC=C(OC)C=C4

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isomeric SMILES

COc1ccc(C=CC(=O)O[C@@]2(C)C[C@@H](O)[C@]3(O)C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]23)cc1

0 references

found in taxon

Scrophularia buergeriana

1 reference

stated in

Four new neuroprotective iridoid glycosides from Scrophularia buergeriana roots

Identifiers

InChI

InChI=1S/C25H32O12/c1-24(37-17(28)8-5-13-3-6-14(33-2)7-4-13)11-16(27)25(32)9-10-34-23(21(24)25)36-22-20(31)19(30)18(29)15(12-26)35-22/h3-10,15-16,18-23,26-27,29-32H,11-12H2,1-2H3/t15-,16-,18-,19+,20-,21-,22+,23+,24+,25-/m1/s1

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InChIKey

JDZDWKUMQMINBT-IXJKTGNRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JDZDWKUMQMINBT-IXJKTGNRSA-N

(Q105125887)

[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] 3-(4-methoxyphenyl)prop-2-enoate

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