(Q104918211)

English

(3aS,4R,7aR)-4-hydroxy-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

(3aS,4R,7aR)-4-hydroxy-5-(5-hydroxypentan-2-yl)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

(3aR,7aS)-4-hydroxy-5-(5-hydroxypentan-2-yl)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

(3AS,4S,7AR)-4-Hydroxy-5-[(2S)-5-hydroxypentan-2-YL]-6-methyl-3-methylidene-3A,4,7,7A-tetrahydro-1-benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

266.151809184 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,4S,7aR)-4-hydroxy-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₄

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canonical SMILES

O=C1OC2CC(=C(C(O)C2C1=C)C(C)CCCO)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCO)[C@H](O)[C@H]12

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found in taxon

Inula britannica

2 references

stated in

Sesquiterpene lactones from Inula britannica and their cytotoxic and apoptotic effects on human cancer cell lines.

stated in

Sesquiterpene lactones from Inula britannica

Identifiers

InChI

InChI=1S/C15H22O4/c1-8(5-4-6-16)12-9(2)7-11-13(14(12)17)10(3)15(18)19-11/h8,11,13-14,16-17H,3-7H2,1-2H3/t8-,11+,13+,14-/m0/s1

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InChIKey

ASZIGQFYGXSPCO-RHBIEUIISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ASZIGQFYGXSPCO-RHBIEUIISA-N

1 reference

(Q104918211)

(3aS,4R,7aR)-4-hydroxy-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one

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