(Q104993534)

English

[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8|A-Tigloyloxyreynosin

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

8beta-Tigloyloxyreynosin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₀H₂₆O₅

0 references

canonical SMILES

O=C(OC1CC2(C)C(O)CCC(=C)C2C3OC(=O)C(=C)C13)C(=CC)C

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isomeric SMILES

C=C1CC[C@@H](O)[C@]2(C)C[C@H](OC(=O)/C(C)=C\C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12

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found in taxon

Rhodanthe chlorocephala

1 reference

stated in

Sesquiterpene lactones and other constituents from Australian Helipterum species

Squamopappus skutchii

1 reference

stated in

Sesquiterpene lactones from Squamopappus skutchii

Identifiers

InChI

InChI=1S/C20H26O5/c1-6-10(2)18(22)24-13-9-20(5)14(21)8-7-11(3)16(20)17-15(13)12(4)19(23)25-17/h6,13-17,21H,3-4,7-9H2,1-2,5H3/b10-6-/t13-,14+,15+,16+,17-,20-/m0/s1

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InChIKey

FDDKULNHLFGRDK-KMJRVMNLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FDDKULNHLFGRDK-KMJRVMNLSA-N

1 reference

(Q104993534)

[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

Statements

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