(Q104991304)

English

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]oxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,4,5-tris(acetyloxy)-6-[(6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl)oxy]oxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

500.225761972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₆O₁₁

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canonical SMILES

O=C(OCC1OC(OCC(=CCCC(O)(C=C)C)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

C=C[C@@](C)(O)CC/C=C(/C)CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

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found in taxon

Cunila spicata

1 reference

stated in

Monoterpene Glucosides from Cunila spicata

Identifiers

InChI

InChI=1S/C24H36O11/c1-8-24(7,29)11-9-10-14(2)12-31-23-22(34-18(6)28)21(33-17(5)27)20(32-16(4)26)19(35-23)13-30-15(3)25/h8,10,19-23,29H,1,9,11-13H2,2-7H3/b14-10-/t19-,20-,21+,22-,23-,24-/m1/s1

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InChIKey

DYBLOTHNULGHDA-JYWCLWFRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DYBLOTHNULGHDA-JYWCLWFRSA-N

(Q104991304)

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]oxan-2-yl]methyl acetate

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Identifiers

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