(Q105301120)

English

[(3aS,4S,6aS,9aS,9bS)-9-methyl-3,6-dimethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-(hydroxymethyl)-4-[(E)-2-methylbut-2-enoyl]oxybut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(9-methyl-3,6-dimethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-(hydroxymethyl)-4-(2-methylbut-2-enoyloxy)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

428.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₆

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canonical SMILES

O=C(OCC=C(C(=O)OC1CC(=C)C2CC=C(C)C2C3OCC(=C)C13)CO)C(=CC)C

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isomeric SMILES

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

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found in taxon

Stevia alpina

1 reference

stated in

Sesquiterpene lactones from Stevia alpina var. glutinosa

Identifiers

InChI

InChI=1S/C25H32O6/c1-6-14(2)24(27)29-10-9-18(12-26)25(28)31-20-11-16(4)19-8-7-15(3)21(19)23-22(20)17(5)13-30-23/h6-7,9,19-23,26H,4-5,8,10-13H2,1-3H3/b14-6+,18-9+/t19-,20+,21-,22+,23+/m1/s1

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InChIKey

WBWJKCDFYLQTPC-WBANYDRSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WBWJKCDFYLQTPC-WBANYDRSSA-N

(Q105301120)

[(3aS,4S,6aS,9aS,9bS)-9-methyl-3,6-dimethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-(hydroxymethyl)-4-[(E)-2-methylbut-2-enoyl]oxybut-2-enoate

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Identifiers

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