(Q105233543)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

324.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S)-4alpha-Isopropyl-3alpha,5beta-dihydroxy-1-[(hydroxy)methyl]-1-cyclohexen-6-one 3-[(E)-2-methyl-2-butenoate]5-acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₆

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Tanacetum sinaicum

1 reference

stated in

Malabaricane derivatives from Pyrethrum santolinoides

Identifiers

InChI

InChI=1S/C17H24O6/c1-6-10(4)17(21)23-13-7-12(8-18)15(20)16(22-11(5)19)14(13)9(2)3/h6-7,9,13-14,16,18H,8H2,1-5H3/b10-6+/t13-,14-,16+/m1/s1

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InChIKey

RCCXCTSYJHNSRE-QWSBZYTBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RCCXCTSYJHNSRE-QWSBZYTBSA-N

1 reference

(Q105233543)

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

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Identifiers

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