U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H51NO12
Molecular Weight 689.7896
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOACONITINE

SMILES

[H][C@@]12[C@H]3C[C@@](O)([C@@H]1OC(=O)C4=CC(OC)=C(OC)C=C4)[C@H](C[C@]2(OC(C)=O)[C@H]5[C@H](OC)[C@@]6([H])[C@]37C5N(CC)C[C@]6(COC)[C@H](O)C[C@@H]7OC)OC

InChI

InChIKey=YVPYMQHYESYLIR-HZKWNRCISA-N
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

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Name Type Language
PSEUDOACONITINE
MI  
Common Name English
PSEUDOACONITINE [MI]
Common Name English
ACRACONITINE
Common Name English
NEPAUL ACONITINE
Common Name English
ACONITANE-3,8,13,14-TETROL, 20-ETHYL-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)-, 8-ACETATE 14-(3,4-DIMETHOXYBENZOATE), (1.ALPHA.,3.ALPHA.,6.ALPHA.,14.ALPHA.,16.BETA.)-
Systematic Name English
FERACONITINE
Common Name English
PSEUDACONITINE
Common Name English
NEPALINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10388785
Created by admin on Sat Dec 16 09:54:23 GMT 2023 , Edited by admin on Sat Dec 16 09:54:23 GMT 2023
PRIMARY
FDA UNII
5483BY72RT
Created by admin on Sat Dec 16 09:54:23 GMT 2023 , Edited by admin on Sat Dec 16 09:54:23 GMT 2023
PRIMARY
MERCK INDEX
m440
Created by admin on Sat Dec 16 09:54:23 GMT 2023 , Edited by admin on Sat Dec 16 09:54:23 GMT 2023
PRIMARY Merck Index
CAS
1369-10-4
Created by admin on Sat Dec 16 09:54:23 GMT 2023 , Edited by admin on Sat Dec 16 09:54:23 GMT 2023
SUPERSEDED
PUBCHEM
90478913
Created by admin on Sat Dec 16 09:54:23 GMT 2023 , Edited by admin on Sat Dec 16 09:54:23 GMT 2023
PRIMARY
WIKIPEDIA
Pseudaconitine
Created by admin on Sat Dec 16 09:54:23 GMT 2023 , Edited by admin on Sat Dec 16 09:54:23 GMT 2023
PRIMARY
CAS
127-29-7
Created by admin on Sat Dec 16 09:54:23 GMT 2023 , Edited by admin on Sat Dec 16 09:54:23 GMT 2023
PRIMARY