(Q105241627)

English

[(1R,3'R,4S,6R,7S,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[(1R,3'S,6R,7R)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate

1 reference

1 reference

(3',6,7,14-Tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl) acetate

1 reference

1 reference

423.189316888 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3'R,4R,6R,7S,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3'R,4R,6S,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate

1 reference

1 reference

[(1R,3'R,4R,6R,7S)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₉NO₈

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canonical SMILES

O=C(OC1(C(=O)OCC2=CCN(C)CCC(OC(=O)C3(OC3C)CC1C)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@@]3(C[C@H]1C)O[C@@H]3C)C2=O

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found in taxon

Ligularia dentata

1 reference

stated in

Studies on constituents of crude drugs. XV. New pyrrolizidine alkaloids from Ligularia dentata.

Senecio gallicus

1 reference

stated in

Pyrrolizidine alkaloids from Senecio gallicus and S. Adonidifolius

Senecio oxyphyllus

1 reference

stated in

Pyrrolizidine alkaloids from Senecio oxyphyllus, a Brazilian poisonous plant

Identifiers

InChI

InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20+,21+/m1/s1

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InChIKey

RNNVXCSFOWGBQP-IZZNHIEISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RNNVXCSFOWGBQP-IZZNHIEISA-N

1 reference

(Q105241627)

[(1R,3'R,4S,6R,7S,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate

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Identifiers

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