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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H33NO3
Molecular Weight 359.5023
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AJACONINE

SMILES

[H][C@@]12C[C@H]3O[C@H]4N(CCO)C[C@]1(C)CCC[C@@]24[C@]5([H])C[C@@H]6CC[C@]35[C@H](O)C6=C

InChI

InChIKey=RLXRCZIALRMBJR-QSRLNDOYSA-N
InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3/t14-,15+,16-,17+,18+,19+,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Three new norditerpenoid alkaloids from Consolida orientalis.
2004 May
Name Type Language
AJACONINE
MI  
Common Name English
5H,8H-2,4A-ETHANO-5,9,12A-ETHANYLYLIDENE-2H-(2)BENZOPYRANO(3,4-B)AZOCINE-7(6AH)-ETHANOL, OCTAHYDRO-4-HYDROXY-9-METHYL-3-METHYLENE-, (2S,4R,4AS,5R,6AR,9R,12AS,12BR,13R)-
Common Name English
(2S-(2.ALPHA.,4.BETA.,4A.ALPHA.,5.BETA.,6A.ALPHA.,9.BETA.,12A.BETA.,12B.BETA.,13S*))-OCTAHYDRO-4-HYDROXY-9-METHYL-3-METHYLENE-5H,8H-2,4A-ETHANO-5,9,12A-ETHANYLYLIDENE-2H-(2)BENZOPYRANO(3,4-B)AZOCINE-7(6AH)-ETHANOL
Common Name English
NSC-304665
Code English
AJACONINE [MI]
Common Name English
Code System Code Type Description
CAS
545-61-9
Created by admin on Sat Dec 16 08:23:11 GMT 2023 , Edited by admin on Sat Dec 16 08:23:11 GMT 2023
PRIMARY
CHEBI
2523
Created by admin on Sat Dec 16 08:23:11 GMT 2023 , Edited by admin on Sat Dec 16 08:23:11 GMT 2023
PRIMARY
FDA UNII
DW4U480C61
Created by admin on Sat Dec 16 08:23:11 GMT 2023 , Edited by admin on Sat Dec 16 08:23:11 GMT 2023
PRIMARY
MERCK INDEX
m1456
Created by admin on Sat Dec 16 08:23:11 GMT 2023 , Edited by admin on Sat Dec 16 08:23:11 GMT 2023
PRIMARY Merck Index
PUBCHEM
72710660
Created by admin on Sat Dec 16 08:23:11 GMT 2023 , Edited by admin on Sat Dec 16 08:23:11 GMT 2023
PRIMARY
EPA CompTox
DTXSID50109944
Created by admin on Sat Dec 16 08:23:11 GMT 2023 , Edited by admin on Sat Dec 16 08:23:11 GMT 2023
PRIMARY
NSC
304665
Created by admin on Sat Dec 16 08:23:11 GMT 2023 , Edited by admin on Sat Dec 16 08:23:11 GMT 2023
PRIMARY