(Q104950721)

English

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S)-2,3,4-trihydroxy-3-methylbutoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-(2,3,4-trihydroxy-3-methylbutoxy)oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

474.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₁₂

0 references

canonical SMILES

O=C(OCC1OC(OCC(O)C(O)(C)CO)C(O)C(O)C1O)C=CC2=CC=C(O)C(OC)=C2

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OC[C@H](O)[C@@](C)(O)CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

0 references

found in taxon

Salvia officinalis

1 reference

stated in

Isolation and structural elucidation of two new glycosides from sage (Salvia officinalis L.)

Identifiers

InChI

InChI=1S/C21H30O12/c1-21(29,10-22)15(24)9-32-20-19(28)18(27)17(26)14(33-20)8-31-16(25)6-4-11-3-5-12(23)13(7-11)30-2/h3-7,14-15,17-20,22-24,26-29H,8-10H2,1-2H3/b6-4+/t14-,15+,17-,18+,19-,20-,21+/m1/s1

0 references

InChIKey

BZWPYDSZGOMZNC-HLDIMFTHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BZWPYDSZGOMZNC-HLDIMFTHSA-N

(Q104950721)

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S)-2,3,4-trihydroxy-3-methylbutoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Statements

Identifiers

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