(Q105176906)

English

(E,3R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]methyl]-4-formylhex-4-enoic acid

chemical compound

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type of chemical entity

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subclass of

3-[[7,8-Dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]methyl]-4-formylhex-4-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

466.18389716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀O₁₀

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canonical SMILES

O=CC(=CC)C(CC(=O)O)CC1OCC2OC(OCCC3=CC=C(O)C=C3)C(O)C(O)C2O1

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isomeric SMILES

C/C=C(/C=O)[C@@H](CC(=O)O)C[C@@H]1OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O1

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found in taxon

Ilex pubescens

1 reference

stated in

Two New 2-Phenylethyl Alcohol Derivatives and One New Lignan Derivative from the Root ofIlex pubescens

Identifiers

InChI

InChI=1S/C23H30O10/c1-2-14(11-24)15(9-18(26)27)10-19-31-12-17-22(33-19)20(28)21(29)23(32-17)30-8-7-13-3-5-16(25)6-4-13/h2-6,11,15,17,19-23,25,28-29H,7-10,12H2,1H3,(H,26,27)/b14-2-/t15-,17+,19+,20+,21+,22+,23+/m0/s1

0 references

InChIKey

NBPQOQHFVOITGU-XQZILGSASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NBPQOQHFVOITGU-XQZILGSASA-N

(Q105176906)

(E,3R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-yl]methyl]-4-formylhex-4-enoic acid

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Identifiers

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