(Q105148916)

English

(3R,3aR,6S,7R,7aS)-6-ethenyl-3-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-3,6-dimethyl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one

chemical compound

In more languages

Statements

type of chemical entity

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elemane sesquiterpenoid

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266.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₄

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canonical SMILES

O=C1OC2C(C(=C)CO)C(C=C)(C)CCC2C1(O)C

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isomeric SMILES

C=C[C@]1(C)CC[C@@H]2[C@@H](OC(=O)[C@]2(C)O)[C@H]1C(=C)CO

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1 reference

Sesquiterpene lactones from Centaurea species

Identifiers

InChI=1S/C15H22O4/c1-5-14(3)7-6-10-12(11(14)9(2)8-16)19-13(17)15(10,4)18/h5,10-12,16,18H,1-2,6-8H2,3-4H3/t10-,11-,12-,14-,15-/m1/s1

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LASQZSRKRLHSPX-URFZWBKFSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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