(Q105254445)

English

methyl (1S,2S,5R,8R,9S)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (1S,2S,8R,9S)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.0¹,⁵]undec-3-ene-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

262.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Subergorgic acid methyl ester

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₁₆H₂₂O₃

0 references

canonical SMILES

O=C(OC)C1=CC2(C)CCC3C(C)CC(=O)C32C1C

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isomeric SMILES

COC(=O)C1=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC(=O)[C@]32[C@@H]1C

0 references

found in taxon

Subergorgia suberosa

2 references

stated in

Studies on the secondary metabolites from the Indian gorgonian Subergorgia suberosa: isolation and characterization of four analogues of the cardiotoxin subergorgic acid

stated in

Studies on the secondary metabolites from the indian gorgonian subergorgia suberosa: isolation and characterization of four analogues of the cardiotoxin subergorgic acid

Identifiers

InChI

InChI=1S/C16H22O3/c1-9-7-13(17)16-10(2)11(14(18)19-4)8-15(16,3)6-5-12(9)16/h8-10,12H,5-7H2,1-4H3/t9-,10+,12+,15+,16-/m0/s1

0 references

InChIKey

SJNFRYWQDFKLRC-UWPFHJLMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SJNFRYWQDFKLRC-UWPFHJLMSA-N

(Q105254445)

methyl (1S,2S,5R,8R,9S)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylate

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