(Q110185442)

English

2-Butenoic acid, 2-((acetyloxy)methyl)-4-hydroxy-, (3aR,4R,6E,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (2E)-

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

462.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6Z,9S,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(acetyloxymethyl)-4-hydroxybut-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₄H₃₀O₉

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canonical SMILES

O=C(OC1CC(=CCC(OC(=O)C)C(=CC2OC(=O)C(=C)C21)C)C)C(=CCO)COC(=O)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(/C)C[C@@H](OC(=O)/C(=C/CO)COC(C)=O)[C@@H]12

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found in taxon

Disynaphia multicrenulata

1 reference

stated in

Sesquiterpene lactones and other constituents of Disynaphia multicrenulata from Argentina

Stevia origanoides

1 reference

stated in

Heliangolides from Stevia origanoides

Identifiers

InChI

InChI=1S/C24H30O9/c1-13-6-7-19(31-17(5)27)14(2)11-21-22(15(3)23(28)32-21)20(10-13)33-24(29)18(8-9-25)12-30-16(4)26/h6,8,11,19-22,25H,3,7,9-10,12H2,1-2,4-5H3/b13-6-,14-11-,18-8+/t19-,20+,21+,22+/m0/s1

0 references

InChIKey

ZMTCJFSEHCLXKW-OREBISQTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZMTCJFSEHCLXKW-OREBISQTSA-N

1 reference

(Q110185442)

2-Butenoic acid, 2-((acetyloxy)methyl)-4-hydroxy-, (3aR,4R,6E,9S,10Z,11aR)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (2E)-

Statements

Identifiers

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