(Q105002341)

English

2-[(1R,5R)-2-(hydroxymethyl)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl]ethyl 4-hydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-(Hydroxymethyl)-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl]ethyl 4-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

454.18389716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₁₀

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canonical SMILES

O=C(OCCC1C(=C(C)CC1OC2OC(CO)C(O)C(O)C2O)CO)C3=CC=C(O)C=C3

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isomeric SMILES

CC1=C(CO)[C@@H](CCOC(=O)c2ccc(O)cc2)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1

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found in taxon

Handroanthus impetiginosum

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stated in

Further constituents from the bark of Tabebuia impetiginosa

Handroanthus impetiginosus

1 reference

stated in

Further constituents from the bark of Tabebuia impetiginosa

Identifiers

InChI

InChI=1S/C22H30O10/c1-11-8-16(31-22-20(28)19(27)18(26)17(10-24)32-22)14(15(11)9-23)6-7-30-21(29)12-2-4-13(25)5-3-12/h2-5,14,16-20,22-28H,6-10H2,1H3/t14-,16-,17-,18-,19+,20-,22-/m1/s1

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InChIKey

FVEWFIHDICYCAS-CQYDVNOOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FVEWFIHDICYCAS-CQYDVNOOSA-N

1 reference

(Q105002341)

2-[(1R,5R)-2-(hydroxymethyl)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl]ethyl 4-hydroxybenzoate

Statements

Identifiers

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