(Q105253939)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3aS,6E,10E,11aS)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

Taraxinic acid glucosyl ester

1 reference

based on heuristic

inferred from SMILES

mass

424.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Taraxinic acid 1'-O-beta-D-glucopyranoside

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3aS,6Z,10E,11aR)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from InChI

beta-D-Glucopyranosyl taraxinic ester, >=90% (LC/MS-ELSD)

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₉

0 references

canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2=CCCC(=CC3OC(=O)C(=C)C3CC2)C

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]12

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found in taxon

Ainsliaea dissecta

1 reference

stated in

Sesquiterpene lactones from Ainsliaea acerifolia Sch.Bip. and A. dissecta Franch. et Sav.

Taraxacum disseminatum

1 reference

stated in

Sesquiterpenoids from roots of Taraxacum laevigatum and Taraxacum disseminatum

Taraxacum laevigatum

1 reference

stated in

Sesquiterpenoids from roots of Taraxacum laevigatum and Taraxacum disseminatum

Taraxacum linearisquameum

1 reference

stated in

Eudesmanolides and inositol derivatives from Taraxacum linearisquameum

Taraxacum erythrospermum

1 reference

stated in

Sesquiterpenoids from roots of Taraxacum laevigatum and Taraxacum disseminatum

Identifiers

InChI

InChI=1S/C21H28O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5,8,13-18,21-25H,2-4,6-7,9H2,1H3/b10-8+,12-5+/t13-,14-,15+,16+,17-,18+,21-/m0/s1

0 references

InChIKey

SIOXYUXOHTZOOM-OQJNHMDQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SIOXYUXOHTZOOM-OQJNHMDQSA-N

(Q105253939)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3aS,6E,10E,11aS)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

Statements

Identifiers

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