[(1R,4E,6S,7R)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate (Q105380499)

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chemical compound

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Language	Label	Description	Also known as
English	[(1R,4E,6S,7R)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

(4-Ethylidene-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

407.194402268 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4E,6S,7R,11Z)-4-ethylidene-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,4Z,6R,7R,11Z)-4-ethylidene-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 InChIKey

[(1S,4Z,6S,7S)-4-ethylidene-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,4E,6S,7S,11Z)-4-ethylidene-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

Ligularidine

1 reference

based on heuristic

inferred from InChI

Neoligularidine

1 reference

based on heuristic

inferred from InChI

Acetylsenkirkine

1 reference

based on heuristic

inferred from InChI

[(1R,4Z,6S,7S,11Z)-4-ethylidene-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 InChI

[(1R,4Z,6S,7S)-4-ethylidene-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 InChI

chemical formula

C₂₁H₂₉NO₇

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canonical SMILES

O=C1OC2C(=O)C(=CCN(C)CC2)COC(=O)C(OC(=O)C)(C)C(C)CC1=CC

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isomeric SMILES

C/C=C1\C[C@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)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.

Pittocaulon bombycophole

1 reference

stated in

Pyrrolizidine alkaloids of the endemic Mexican genus Pittocaulon and assignment of stereoisomeric 1,2-saturated necine bases

Pittocaulon filare

1 reference

stated in

Pyrrolizidine alkaloids of the endemic Mexican genus Pittocaulon and assignment of stereoisomeric 1,2-saturated necine bases

Identifiers

InChI

InChI=1S/C21H29NO7/c1-6-15-11-13(2)21(4,29-14(3)23)20(26)27-12-16-7-9-22(5)10-8-17(18(16)24)28-19(15)25/h6-7,13,17H,8-12H2,1-5H3/b15-6+,16-7?/t13-,17+,21+/m0/s1

0 references

InChIKey

ZOIAVVNLMDKOIV-XRXYDBOCSA-N

0 references

PubChem CID

162935498

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZOIAVVNLMDKOIV-XRXYDBOCSA-N

 

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