(Q104989060)

English

[(3aR,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (2R)-3-chloro-2-hydroxy-2-methylpropanoate

chemical compound

In more languages

Statements

type of chemical entity

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germacrane sesquiterpenoid

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384.1339662 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,5Z,9Z,11aS)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl (2R)-3-chloro-2-hydroxy-2-methylpropanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₅ClO₆

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canonical SMILES

O=C1OC2CC(=CCCC(=CCC2C1=C)COC(=O)C(O)(C)CCl)CO

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isomeric SMILES

C=C1C(=O)O[C@H]2CC(CO)=CCCC(COC(=O)[C@@](C)(O)CCl)=CC[C@H]12

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Mikania cordifolia

1 reference

Melampolides from Mikania cordifolia

Identifiers

InChI=1S/C19H25ClO6/c1-12-15-7-6-13(10-25-18(23)19(2,24)11-20)4-3-5-14(9-21)8-16(15)26-17(12)22/h5-6,15-16,21,24H,1,3-4,7-11H2,2H3/t15-,16+,19+/m1/s1

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DTWOPKMGYSYHJE-GJYPPUQNSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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