(Q104988995)

English

[(3aR,4R,6Z,10E,11aR)-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-(Hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₆

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canonical SMILES

O=C(OC1CC(=CCCC(=CC2OC(=O)C(=C)C21)C)CO)C(=CC)CO

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isomeric SMILES

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

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found in taxon

Stevia vaga

1 reference

stated in

Sesquiterpene lactones from Stevia vaga

Identifiers

InChI

InChI=1S/C20H26O6/c1-4-15(11-22)20(24)26-17-9-14(10-21)7-5-6-12(2)8-16-18(17)13(3)19(23)25-16/h4,7-8,16-18,21-22H,3,5-6,9-11H2,1-2H3/b12-8+,14-7-,15-4+/t16-,17-,18+/m1/s1

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InChIKey

DTSKIDAIGJZSRS-IITHCAMPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104988995)

[(3aR,4R,6Z,10E,11aR)-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate

Statements

Identifiers

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