(Q105185967)

English

methyl (1R,2S)-1,3-dimethyl-2-[2-[(1R,5S)-6-methylidene-2-oxo-1-bicyclo[3.2.1]octanyl]ethyl]cyclohex-3-ene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 1,3-dimethyl-2-[2-(6-methylidene-2-oxo-1-bicyclo[3.2.1]octanyl)ethyl]cyclohex-3-ene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

330.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₃

0 references

canonical SMILES

O=C(OC)C1(C)CCC=C(C)C1CCC23C(=O)CCC(C(=C)C2)C3

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isomeric SMILES

C=C1C[C@@]2(CC[C@H]3C(C)=CCC[C@@]3(C)C(=O)OC)C[C@@H]1CCC2=O

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found in taxon

Ichthyothere terminalis

1 reference

stated in

New melampolides, kaurene derivatives and other constituents from Ichthyothere species

Identifiers

InChI

InChI=1S/C21H30O3/c1-14-6-5-10-20(3,19(23)24-4)17(14)9-11-21-12-15(2)16(13-21)7-8-18(21)22/h6,16-17H,2,5,7-13H2,1,3-4H3/t16-,17-,20+,21-/m0/s1

0 references

InChIKey

NUOVUYJGGZJZBZ-PZBISTMVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NUOVUYJGGZJZBZ-PZBISTMVSA-N

(Q105185967)

methyl (1R,2S)-1,3-dimethyl-2-[2-[(1R,5S)-6-methylidene-2-oxo-1-bicyclo[3.2.1]octanyl]ethyl]cyclohex-3-ene-1-carboxylate

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Identifiers

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