(Q104960892)

English

[(3aR,4S,5aR,6R,9R,9aS,9bS)-6,9-dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,9a,9b-hexahydrobenzo[g][1]benzofuran-4-yl] 2-methylprop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6,9-Dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,9a,9b-hexahydrobenzo[g][1]benzofuran-4-yl) 2-methylprop-2-enoate

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

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isomeric SMILES

C=C(C)C(=O)O[C@H]1C[C@]2(C)[C@@H]([C@H]3OC(=O)C(=C)[C@H]13)[C@](C)(O)C=C[C@H]2O

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found in taxon

Chamaemelum fuscatum

1 reference

stated in

Sesquiterpene lactones and aliphatic ester from Chamaemelum fuscatum

Identifiers

InChI

InChI=1S/C19H24O6/c1-9(2)16(21)24-11-8-18(4)12(20)6-7-19(5,23)15(18)14-13(11)10(3)17(22)25-14/h6-7,11-15,20,23H,1,3,8H2,2,4-5H3/t11-,12+,13+,14-,15+,18-,19+/m0/s1

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InChIKey

CJDCNWKOLLJGEK-CWKRJGQWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CJDCNWKOLLJGEK-CWKRJGQWSA-N

(Q104960892)

[(3aR,4S,5aR,6R,9R,9aS,9bS)-6,9-dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,9a,9b-hexahydrobenzo[g][1]benzofuran-4-yl] 2-methylprop-2-enoate

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Identifiers

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