(Q27107182)

lappaconitine (English)

5 October 2016

chemical formula

C₃₂H₄₄N₂O₈

1 reference

lappaconitine (English)

5 October 2016

canonical SMILES

CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5(C6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C

1 reference

lappaconitine (English)

5 October 2016

isomeric SMILES

CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C

1 reference

lappaconitine (English)

InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26?,27+,29-,30+,31+,32+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

lappaconitine (English)

NWBWCXBPKTTZNQ-BAERZWJTSA-N

5 October 2016

InChIKey

2 references

lappaconitine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Lappaconitine (English)

5 October 2016

1 reference

(1a,14a,16b)-20-Ethyl-1,14,16-trimethoxyaconitane-4,8,9-triol 4-[2-(Acetylamino)benzoate] (English)

5 October 2016

1 reference

lappaconitine (English)

5 October 2016

ChEBI ID

6378

mapping relation type

1 reference

DSSTOX compound identifier

Lappaconitine (English)

5 October 2016

1 reference

0 references

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Lappaconitine (English)

5 October 2016

0 references

1 reference

Lappaconitine (English)