(Q105344157)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

538.16864102 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4aR,6S,7R,7aS)-4-formyl-4a,7-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-6-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₁₃

0 references

canonical SMILES

O=CC1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1(O)CC(OC(=O)C=CC4=CC=C(O)C=C4)C3(O)C

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isomeric SMILES

C[C@]1(O)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)C[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21

0 references

found in taxon

Campsis grandiflora

1 reference

stated in

Structures of Cachineside III, IV, and V, Iridoid Glucosides from Campsis chinensis Voss.

Identifiers

InChI

InChI=1S/C25H30O13/c1-24(33)16(37-17(29)7-4-12-2-5-14(28)6-3-12)8-25(34)13(9-26)11-35-23(21(24)25)38-22-20(32)19(31)18(30)15(10-27)36-22/h2-7,9,11,15-16,18-23,27-28,30-34H,8,10H2,1H3/b7-4+/t15-,16-,18-,19+,20-,21+,22-,23-,24-,25-/m0/s1

0 references

InChIKey

XXQDVCJDTNXXPT-YSSMZEDHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XXQDVCJDTNXXPT-YSSMZEDHSA-N

(Q105344157)

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

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Identifiers

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