(Q104253272)

English

[(1R,4S,6R,7R,11Z)-4-[(1R)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4-(1-Chloroethyl)-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

459.1659946 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4R,6R,7R)-4-[(1R)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,4S,6R,7R,11Z)-4-[(1S)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₁H₃₀ClNO₈

0 references

canonical SMILES

O=C(OC1(C(=O)OCC2=CCN(C)CCC(OC(=O)C(O)(CC1C)C(Cl)C)C2=O)C)C

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isomeric SMILES

CC(=O)O[C@@]1(C)C(=O)OC/C2=C/CN(C)CC[C@@H](OC(=O)[C@](O)([C@@H](C)Cl)C[C@H]1C)C2=O

0 references

found in taxon

Senecio inaequidens

4 references

stated in

Off-line Supercritical Fluid Extraction and Capillary Gas Chromatography of Pyrrolizidine Alkaloids in Senecio Species

stated in

Capillary gas chromatography—fourier transform infrared spectroscopy of pyrrolizidine alkaloids of senecio inaequidens DC.

stated in

Mutagenicity of pyrrolizidine alkaloids in the Salmonella typhimurium/mammalian microsome system.

stated in

Capillary Gas Chromatography/Positive and Negative Ion Chemical Ionization Mass Spectrometry on Pyrrolizidine Alkaloids of Senecio inaequidens Using Ammonia and Hydroxyl Ions as the Reagent Species

Doronicum macrophyllum

1 reference

stated in

Alkaloids ofDoronicum macrophyllum

Senecio leptolobus

1 reference

stated in

Pyrrolizidine alkaloid composition in six brazilian Senecio species

Jacobaea othonnae

1 reference

stated in

Doronine fromSenecio othonnae

Austrian leopard's bane

1 reference

stated in

Alkaloids ofDoronicum macrophyllum

Senecio madagascariensis

1 reference

stated in

Pyrrolizidine alkaloids in Senecio madagascariensis from Australia and Hawaii and assessment of possible livestock poisoning

Identifiers

InChI

InChI=1S/C21H30ClNO8/c1-12-10-21(28,13(2)22)19(27)30-16-7-9-23(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21-/m1/s1

0 references

InChIKey

VGRSISYREBBIAL-MWTIQZJTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VGRSISYREBBIAL-MWTIQZJTSA-N

1 reference

(Q104253272)

[(1R,4S,6R,7R,11Z)-4-[(1R)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate

Statements

Identifiers

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