Pseudoaconitine (Q27261185)

Pseudaconitine (English)

[(1S,2S,3S,4R,5R,6R,8S,9R,10R,13R,14S,16R,17S,18S)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate

14 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₁NO₁₂

1 reference

Pseudaconitine (English)

14 October 2016

canonical SMILES

CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC(=C(C=C7)OC)OC)O)OC)OC(=O)C)OC)OC)O)COC

1 reference

Pseudaconitine (English)

14 October 2016

isomeric SMILES

CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC(=C(C=C7)OC)OC)O)OC)OC(=O)C)OC)OC)O)COC

1 reference

Alkaloids of Aconitum balfourii Stapf.

Pseudaconitine (English)

14 October 2016

2 references

Norditerpenoid Alkaloids from the Aerial Parts of Aconitum balfourii Stapf

Aconitum lethale

5 references

Alkaloids of Aconitum balfourii Stapf.

New norditerpenoid alkaloids from Aconitum falconeri

Norditerpenoid Alkaloids from the Aerial Parts of Aconitum balfourii Stapf

SEPARATION OF DITERPENOID ALKALOIDS BY HIGH PERFORMANCE CENTRIFUGAL PARTITION CHROMATOGRAPHY

Structures of Falconerine and Falconerine 8-Acetane, Two New C19-Diterpenoid Alkaloids

Aconitum falconeri

3 references

New norditerpenoid alkaloids from Aconitum falconeri

SEPARATION OF DITERPENOID ALKALOIDS BY HIGH PERFORMANCE CENTRIFUGAL PARTITION CHROMATOGRAPHY

Structures of Falconerine and Falconerine 8-Acetane, Two New C19-Diterpenoid Alkaloids

Aconitum ferox

2 references

Isolation and Identification of Four Norditerpenoid Alkaloids from Processed and Unprocessed Root Tubers of Aconitum Ferox

XIX. The alkaloïds of the aconites. Part II. On the alkaloïds contained in Aconitum ferox

Identifiers

InChI

InChI=1S/C36H51NO12/c1-9-37-16-33(17-42-3)23(39)13-24(45-6)36-20-14-34(41)25(46-7)15-35(49-18(2)38,27(30(36)37)28(47-8)29(33)36)26(20)31(34)48-32(40)19-10-11-21(43-4)22(12-19)44-5/h10-12,20,23-31,39,41H,9,13-17H2,1-8H3/t20-,23-,24 ,25 ,26-,27 ,28 ,29-,30-,31-,33 ,34 ,35-,36 /m1/s1

1 reference

Pseudaconitine (English)

YVPYMQHYESYLIR-HZKWNRCISA-N

14 October 2016

InChIKey

1 reference

Pseudaconitine (English)

YVPYMQHYESYLIR-CERQHTHQSA-N

14 October 2016

1 reference

ChEBI release 2020-09-01

CAS Registry Number

127-29-7

1 reference

Global Substance Registration System

UNII

5483BY72RT

pseudoaconitine (English)

14 October 2016

1 reference

(3alpha,5alpha,6alpha,14beta,16beta)-8-Acetoxy-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 3,4-dimethoxybenzoate (English)

14 October 2016

2 references