(Q104945464)

English

[(1S,2S,6R)-2-(hydroxymethyl)-10-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₂₄H₂₈O₁₁

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Statements

instance of

group of stereoisomers

0 references

1 reference

492.163161716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₈O₁₁

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canonical SMILES

O=C(OC1C2OC2(CO)C3C(OC=CC13)OC4OC(CO)C(O)C(O)C4O)C=CC=5C=CC=CC5

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isomeric SMILES

O=C(C=Cc1ccccc1)OC1C2O[C@]2(CO)[C@H]2C(O[C@@H]3OC(CO)C(O)C(O)C3O)OC=C[C@@H]12

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found in taxon

Gentiana kurroo

1 reference

stated in

Two iridoid glucosides from Gentiana verna

Identifiers

InChI

InChI=1S/C24H28O11/c25-10-14-17(28)18(29)19(30)23(32-14)34-22-16-13(8-9-31-22)20(21-24(16,11-26)35-21)33-15(27)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25-26,28-30H,10-11H2/t13-,14?,16-,17?,18?,19?,20?,21?,22?,23+,24-/m1/s1

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InChIKey

BSYHSWKTXMTFNF-BRFWTUNNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BSYHSWKTXMTFNF-BRFWTUNNSA-N

(Q104945464)

[(1S,2S,6R)-2-(hydroxymethyl)-10-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-phenylprop-2-enoate

Statements

Identifiers

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