(Q105348023)

English

[(4S,4aR,5S,8S,8aS)-3,4a,5-trimethyl-4-(2-methylpropanoyloxy)-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4a,5-Trimethyl-4-(2-methylpropanoyloxy)-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-8-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

416.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₆

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canonical SMILES

O=C(OC1CCC(C)C2(C)C(OC(=O)C(C)C)C3=C(OC=C3C)C(=O)C12)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@H]12

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found in taxon

Senecio chionophilus

1 reference

stated in

Constituents of Senecio chionophilus with potential antitubercular activity

Identifiers

InChI

InChI=1S/C24H32O6/c1-8-13(4)23(27)29-16-10-9-15(6)24(7)18(16)19(25)20-17(14(5)11-28-20)21(24)30-22(26)12(2)3/h8,11-12,15-16,18,21H,9-10H2,1-7H3/b13-8-/t15-,16-,18-,21+,24+/m0/s1

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InChIKey

YGDIXPFBPXGHMQ-KJVTWPPUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YGDIXPFBPXGHMQ-KJVTWPPUSA-N

(Q105348023)

[(4S,4aR,5S,8S,8aS)-3,4a,5-trimethyl-4-(2-methylpropanoyloxy)-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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