(Q105114355)

English

[(3aS,4R,5S,5aS,8aR,9S,9aS)-9-[2-(acetyloxymethyl)prop-2-enoyloxy]-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-4-yl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

pseudoguaiane sesquiterpenoid

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mass

488.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₉

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canonical SMILES

O=C(OC1C2C(=C)C(=O)OC2C(OC(=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]2[C@H](OC(=O)CC(C)C)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C

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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)33-21-14(4)17-8-9-18(28)26(17,7)23(20-15(5)25(31)34-22(20)21)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

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InChIKey

IKFZHAWZCCVTGW-YREMOLLASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IKFZHAWZCCVTGW-YREMOLLASA-N

(Q105114355)

[(3aS,4R,5S,5aS,8aR,9S,9aS)-9-[2-(acetyloxymethyl)prop-2-enoyloxy]-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-4-yl] 3-methylbutanoate

Statements

Identifiers

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