(Q105132331)

English

[(1S,2S,3R,7S,8S,9R,13S)-2-[2-(acetyloxymethyl)prop-2-enoyloxy]-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.03,7]tridec-5-en-13-yl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-({2-[(acetyloxy)methyl]prop-2-enoyl}oxy)-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.0³,⁷]tridec-5-en-13-yl 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

488.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₉

0 references

canonical SMILES

O=C(OC1C2C(=C)C(=O)OC(C2OC(=O)CC(C)C)C(C)C3C=CC(=O)C13C)C(=C)COC(=O)C

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isomeric SMILES

C=C(COC(C)=O)C(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@H]([C@@H](C)[C@@H]3C=CC(=O)[C@]31C)[C@H]2OC(=O)CC(C)C

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found in taxon

Anisopappus pinnatifidus

1 reference

stated in

Pseudoguaianolides and other constituents from Anisopappus pinnatifidus and Antiphiona species

Identifiers

InChI

InChI=1S/C26H32O9/c1-12(2)10-19(29)33-22-20-15(5)25(31)34-21(22)14(4)17-8-9-18(28)26(17,7)23(20)35-24(30)13(3)11-32-16(6)27/h8-9,12,14,17,20-23H,3,5,10-11H2,1-2,4,6-7H3/t14-,17-,20+,21+,22-,23-,26-/m0/s1

0 references

InChIKey

JOHBBRKCPFVLDO-YREMOLLASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JOHBBRKCPFVLDO-YREMOLLASA-N

(Q105132331)

[(1S,2S,3R,7S,8S,9R,13S)-2-[2-(acetyloxymethyl)prop-2-enoyloxy]-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.03,7]tridec-5-en-13-yl] 3-methylbutanoate

Statements

Identifiers

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