(Q105244501)

English

[(1R,5S,6R)-3-(hydroxymethyl)-5-(2-methylbut-2-enoyloxy)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] 2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-(Hydroxymethyl)-5-(2-methylbut-2-enoyloxy)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,5S,6R)-3-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

(4S)-2-(Hydroxymethyl)-4alpha,6beta-dihydroxy-5alpha-isopropyl-2-cyclohexen-1-one 4-[(Z)-2-methyl-2-butenoate]6-[(E)-2-methyl-2-butenoate]

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

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canonical SMILES

O=C(OC1C=C(C(=O)C(OC(=O)C(=CC)C)C1C(C)C)CO)C(=CC)C

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isomeric SMILES

CC=C(C)C(=O)O[C@@H]1C(=O)C(CO)=C[C@@H](OC(=O)C(C)=CC)[C@H]1C(C)C

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found in taxon

Sphaeranthus africanus

1 reference

stated in

New carvotanacetone derivatives from Sphaeranthus africanus

Identifiers

InChI

InChI=1S/C20H28O6/c1-7-12(5)19(23)25-15-9-14(10-21)17(22)18(16(15)11(3)4)26-20(24)13(6)8-2/h7-9,11,15-16,18,21H,10H2,1-6H3/t15-,16-,18+/m1/s1

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InChIKey

RSAFYLIOGXTBSD-NUJGCVRESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RSAFYLIOGXTBSD-NUJGCVRESA-N

(Q105244501)

[(1R,5S,6R)-3-(hydroxymethyl)-5-(2-methylbut-2-enoyloxy)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] 2-methylbut-2-enoate

Statements

Identifiers

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