(Q105277392)

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)-4-hydroxy-2-(hydroxymethyl)but-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) 4-hydroxy-2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

O=C(OC1CC(=C)C2CC=C(C)C2C3OCC(=C)C13)C(=CCO)CO

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isomeric SMILES

C=C1C[C@H](OC(=O)/C(=C/CO)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/C20H26O5/c1-11-4-5-15-12(2)8-16(25-20(23)14(9-22)6-7-21)18-13(3)10-24-19(18)17(11)15/h4,6,15-19,21-22H,2-3,5,7-10H2,1H3/b14-6+/t15-,16+,17-,18+,19+/m1/s1

0 references

InChIKey

UQQBRVPVFILOGY-KKZWJZGESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UQQBRVPVFILOGY-KKZWJZGESA-N

(Q105277392)

[(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)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

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