(Q105380493)

English

[(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

chemical compound

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instance of

type of chemical entity

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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

[(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

1 reference

based on heuristic

inferred from InChIKey

[(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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

[(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

[(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

1 reference

1 reference

[(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 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

chemical formula

C₂₁H₂₉NO₇

0 references

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)OC/C2=C/CN(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-CVVAETFESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZOIAVVNLMDKOIV-CVVAETFESA-N

(Q105380493)

[(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

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Identifiers

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