(Q105199771)

English

[(3aR,4S,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-2,8-dioxo-3a,4,5,6,7,9b-hexahydrobenzo[g][1]benzofuran-4-yl] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6-Hydroxy-5a,9-dimethyl-3-methylidene-2,8-dioxo-3a,4,5,6,7,9b-hexahydrobenzo[g][1]benzofuran-4-yl) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

348.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₄O₆

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canonical SMILES

O=C1OC2C3=C(C(=O)CC(O)C3(C)CC(OC(=O)C(C)C)C2C1=C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C3=C(C)C(=O)C[C@@H](O)[C@]3(C)C[C@H](OC(=O)C(C)C)[C@@H]12

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found in taxon

Chamaemelum fuscatum

1 reference

stated in

Eudesmanolides from Chamaemelum fuscatum

Identifiers

InChI

InChI=1S/C19H24O6/c1-8(2)17(22)24-12-7-19(5)13(21)6-11(20)9(3)15(19)16-14(12)10(4)18(23)25-16/h8,12-14,16,21H,4,6-7H2,1-3,5H3/t12-,13+,14+,16-,19-/m0/s1

0 references

InChIKey

OTRINJUJLXCDRB-KQHRVAEHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OTRINJUJLXCDRB-KQHRVAEHSA-N

(Q105199771)

[(3aR,4S,5aR,6R,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-2,8-dioxo-3a,4,5,6,7,9b-hexahydrobenzo[g][1]benzofuran-4-yl] 2-methylpropanoate

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