(Q105130123)

English

[(4S,4aR,5S,7S,8aR)-7-acetyloxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (E)-3-methylpent-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7-Acetyloxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 3-methylpent-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

402.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀O₆

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canonical SMILES

O=C(OC1C2=C(OC=C2C)C(=O)C3CC(OC(=O)C)CC(C)C13C)C=C(C)CC

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isomeric SMILES

CC/C(C)=C/C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2C[C@@H](OC(C)=O)C[C@H](C)[C@@]12C

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found in taxon

Telanthophora grandifolia

1 reference

stated in

Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species

Identifiers

InChI

InChI=1S/C23H30O6/c1-7-12(2)8-18(25)29-22-19-13(3)11-27-21(19)20(26)17-10-16(28-15(5)24)9-14(4)23(17,22)6/h8,11,14,16-17,22H,7,9-10H2,1-6H3/b12-8+/t14-,16-,17-,22+,23+/m0/s1

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InChIKey

JKBLJUFERPGEOU-UPPJQGEPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JKBLJUFERPGEOU-UPPJQGEPSA-N

(Q105130123)

[(4S,4aR,5S,7S,8aR)-7-acetyloxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (E)-3-methylpent-2-enoate

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Identifiers

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