(Q105345622)

English

[(3aR,4S,5S,6E,10E,11aS)-6-formyl-5-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

9-Hydroxyglabratolide

1 reference

based on heuristic

inferred from SMILES

6-formyl-5-hydroxy-10-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

348.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,5S,6E,10E,11aR)-6-formyl-5-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄O₆

0 references

canonical SMILES

O=CC1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C(C)C)C1O)C

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C=O)[C@H](O)[C@@H](OC(=O)C(C)C)[C@H]12

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found in taxon

Milleria quinqueflora

1 reference

stated in

Millerenolides, sesquiterpene lactones from Milleria quinqueflora

Identifiers

InChI

InChI=1S/C19H24O6/c1-10(2)18(22)25-17-15-12(4)19(23)24-14(15)8-11(3)6-5-7-13(9-20)16(17)21/h7-10,14-17,21H,4-6H2,1-3H3/b11-8+,13-7-/t14-,15+,16-,17-/m0/s1

0 references

InChIKey

YAVQKFOMLWQFEM-UXDHSSDNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YAVQKFOMLWQFEM-UXDHSSDNSA-N

(Q105345622)

[(3aR,4S,5S,6E,10E,11aS)-6-formyl-5-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

Statements

Identifiers

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