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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H48N2O9
Molecular Weight 628.7529
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AJACINE

SMILES

CCN1C[C@]3(COC(=O)C2=C(NC(C)=O)C=CC=C2)CC[C@H](OC)[C@@]45[C@@H]6C[C@H]7[C@H](OC)[C@@H]6[C@](O)(C[C@@H]7OC)[C@@](O)([C@@H](OC)[C@H]34)[C@@H]15

InChI

InChIKey=NUXFDCYXMLVOFU-AYBRVATOSA-N
InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24+,25-,26+,27-,28+,30+,31+,32-,33+,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H48N2O9
Molecular Weight 628.7529
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:07:12 GMT 2025
Edited
by admin
on Mon Mar 31 22:07:12 GMT 2025
Record UNII
GP3SE3H2BB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AJACINE
MI  
Common Name English
AJACINE [MI]
Preferred Name English
N-(ACETYLANTHRANILOYL)LYCOCTONINE
Common Name English
ACONITANE-7,8-DIOL, 4-(((2-(ACETYLAMINO)BENZOYL)OXY)METHYL)-20-ETHYL-1,6,14,16-TETRAMETHOXY-, (1.ALPHA.,6.BETA.,14.ALPHA.,16.BETA.)-
Systematic Name English
PONTACONITINE A
Common Name English
N-ACETYLANTHRANILIC ACID ESTER
Common Name English
Code System Code Type Description
FDA UNII
GP3SE3H2BB
Created by admin on Mon Mar 31 22:07:12 GMT 2025 , Edited by admin on Mon Mar 31 22:07:12 GMT 2025
PRIMARY
CAS
509-17-1
Created by admin on Mon Mar 31 22:07:12 GMT 2025 , Edited by admin on Mon Mar 31 22:07:12 GMT 2025
PRIMARY
PUBCHEM
101667972
Created by admin on Mon Mar 31 22:07:12 GMT 2025 , Edited by admin on Mon Mar 31 22:07:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID80928950
Created by admin on Mon Mar 31 22:07:12 GMT 2025 , Edited by admin on Mon Mar 31 22:07:12 GMT 2025
PRIMARY