(Q104950688)

English

[(Z)-3-Methylene-7-(acetoxymethyl)-6-octenyl] 4-O,6-O-diacetyl-3-O-angeloyl-beta-D-glucopyranoside

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-Acetyloxy-2-(acetyloxymethyl)-6-(8-acetyloxy-7-methyl-3-methylideneoct-6-enoxy)-5-hydroxyoxan-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

540.2570621 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₀O₁₁

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canonical SMILES

O=C(OC1C(O)C(OCCC(=C)CCC=C(C)COC(=O)C)OC(COC(=O)C)C1OC(=O)C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Tetraneuris linearifolia

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stated in

Sesquiterpene lactones and monoterpene glucopyrano-sides of Tetraneuris linearifolia var. Arenicola

Identifiers

InChI

InChI=1S/C27H40O11/c1-8-18(4)26(32)38-25-23(31)27(37-22(15-35-20(6)29)24(25)36-21(7)30)33-13-12-16(2)10-9-11-17(3)14-34-19(5)28/h8,11,22-25,27,31H,2,9-10,12-15H2,1,3-7H3/b17-11-,18-8-/t22-,23-,24-,25-,27-/m1/s1

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InChIKey

BZTHESYCJRJYKA-KFRFQVFCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BZTHESYCJRJYKA-KFRFQVFCSA-N

1 reference

(Q104950688)

[(Z)-3-Methylene-7-(acetoxymethyl)-6-octenyl] 4-O,6-O-diacetyl-3-O-angeloyl-beta-D-glucopyranoside

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Identifiers

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