(Q105178847)

English

(3aR,4S,6E,10Z,11aR)-2,3,3a,4,5,8,9,11a-Octahydro-4-hydroxy-10-[[6-O-[(4-hydroxyphenyl)acetyl]-beta-D-glucopyranosyl]oxymethyl]-3-methylene-2-oxocyclodeca[b]furan-6-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[(6-Formyl-4-hydroxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from SMILES

mass

574.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6R)-6-[[(3aR,4S,6E,10E,11aS)-6-formyl-4-hydroxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₄O₁₂

0 references

canonical SMILES

O=CC1=CCCC(=CC2OC(=O)C(=C)C2C(O)C1)COC3OC(COC(=O)CC4=CC=C(O)C=C4)C(O)C(O)C3O

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\CO[C@@H]3O[C@H](COC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)CC/C=C(/C=O)C[C@H](O)[C@@H]12

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found in taxon

Sonchus asper

1 reference

stated in

Sesquiterpene lactone glucosides from Sonchus asper

Urospermum picroides

2 references

stated in

Urospermal a glucoside from urospermum picroides

stated in

Sesquiterpene lactones and glucosides from Urospermum picroides

Identifiers

InChI

InChI=1S/C29H34O12/c1-15-24-20(32)9-17(12-30)3-2-4-18(10-21(24)40-28(15)37)13-39-29-27(36)26(35)25(34)22(41-29)14-38-23(33)11-16-5-7-19(31)8-6-16/h3,5-8,10,12,20-22,24-27,29,31-32,34-36H,1-2,4,9,11,13-14H2/b17-3+,18-10-/t20-,21+,22+,24+,25+,26-,27+,29+/m0/s1

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InChIKey

NGDUYKZDYOOZLX-IPTIBXCDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NGDUYKZDYOOZLX-IPTIBXCDSA-N

1 reference

(Q105178847)

(3aR,4S,6E,10Z,11aR)-2,3,3a,4,5,8,9,11a-Octahydro-4-hydroxy-10-[[6-O-[(4-hydroxyphenyl)acetyl]-beta-D-glucopyranosyl]oxymethyl]-3-methylene-2-oxocyclodeca[b]furan-6-carbaldehyde

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Identifiers

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