(Q105150660)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

490.18389716 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₁₀

0 references

canonical SMILES

O=CC1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CC(OC(=O)C=CC=4C=CC=CC4)C3C

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isomeric SMILES

C[C@H]1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@@H]2C(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

New Iridoid Glucosides, Canpenoside and 5-Hydroxycampenoside, from Campsis chinensis Voss

Identifiers

InChI

InChI=1S/C25H30O10/c1-13-17(33-19(28)8-7-14-5-3-2-4-6-14)9-16-15(10-26)12-32-24(20(13)16)35-25-23(31)22(30)21(29)18(11-27)34-25/h2-8,10,12-13,16-18,20-25,27,29-31H,9,11H2,1H3/b8-7+/t13-,16+,17-,18-,20+,21+,22+,23-,24-,25-/m0/s1

0 references

InChIKey

LEMYEEHONYESNR-VOFYRUENSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LEMYEEHONYESNR-VOFYRUENSA-N

(Q105150660)

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

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Identifiers

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