(Q104988188)

English

(3R,3aS,4R,7aR)-4-hydroxy-3-[[(1R,5S,7R)-7-hydroxy-6-methylidene-2-oxo-1-bicyclo[3.2.1]oct-3-enyl]methyl]-4,7a-dimethyl-3a,5,6,7-tetrahydro-3H-2-benzofuran-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-hydroxy-3-[(7-hydroxy-6-methylidene-2-oxo-1-bicyclo[3.2.1]oct-3-enyl)methyl]-4,7a-dimethyl-3a,5,6,7-tetrahydro-3H-2-benzofuran-1-one

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3aS,4R,7aR)-4-hydroxy-3-[[(1R,5S,7S)-7-hydroxy-6-methylidene-2-oxo-1-bicyclo[3.2.1]oct-3-enyl]methyl]-4,7a-dimethyl-3a,5,6,7-tetrahydro-3H-2-benzofuran-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

O=C1OC(CC23C(=O)C=CC(C(=C)C2O)C3)C4C(O)(C)CCCC14C

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isomeric SMILES

C=C1[C@@H]2C=CC(=O)[C@@](C[C@H]3OC(=O)[C@]4(C)CCC[C@@](C)(O)[C@H]34)(C2)[C@@H]1O

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found in taxon

Wedelia regis

1 reference

stated in

Diterpene lactones and other constituents from Wedelia and Aspilia species

Identifiers

InChI

InChI=1S/C20H26O5/c1-11-12-5-6-14(21)20(9-12,16(11)22)10-13-15-18(2,17(23)25-13)7-4-8-19(15,3)24/h5-6,12-13,15-16,22,24H,1,4,7-10H2,2-3H3/t12-,13-,15-,16-,18-,19-,20+/m1/s1

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InChIKey

DTCAYZSGTFVMFV-RSUMPKCXSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104988188)

(3R,3aS,4R,7aR)-4-hydroxy-3-[[(1R,5S,7R)-7-hydroxy-6-methylidene-2-oxo-1-bicyclo[3.2.1]oct-3-enyl]methyl]-4,7a-dimethyl-3a,5,6,7-tetrahydro-3H-2-benzofuran-1-one

Statements

Identifiers

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