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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H47NO10
Molecular Weight 629.7377
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDACONITINE

SMILES

[H][C@@]12[C@H]3C[C@@](O)([C@@H]1OC(=O)C4=CC=CC=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=PHDZNMWTZQPAEW-IOZYTHHVSA-N
InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)21(37)13-22(41-4)34-20-14-32(39)23(42-5)15-33(45-18(2)36,25(28(34)35)26(43-6)27(31)34)24(20)29(32)44-30(38)19-11-9-8-10-12-19/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29-,31+,32+,33-,34+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
INDACONITINE
MI  
Common Name English
INDACONITINE [MI]
Common Name English
ACETYLBENZOYLPSEUDOACONINE
Common Name English
ACONITANE-3,8,13,14-TETROL, 20-ETHYL-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)-, 8-ACETATE 14-BENZOATE, (1.ALPHA.,3.ALPHA.,6.ALPHA.,14.ALPHA.,16.BETA.)-
Systematic Name English
ACETYLBENZOYLPSEUDACONINE
Common Name English
15-DEOXYACONITINE
Common Name English
Code System Code Type Description
MERCK INDEX
m770
Created by admin on Sat Dec 16 09:49:34 GMT 2023 , Edited by admin on Sat Dec 16 09:49:34 GMT 2023
PRIMARY Merck Index
FDA UNII
HNC9MLB3BL
Created by admin on Sat Dec 16 09:49:34 GMT 2023 , Edited by admin on Sat Dec 16 09:49:34 GMT 2023
PRIMARY
PUBCHEM
60208143
Created by admin on Sat Dec 16 09:49:34 GMT 2023 , Edited by admin on Sat Dec 16 09:49:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID50963297
Created by admin on Sat Dec 16 09:49:34 GMT 2023 , Edited by admin on Sat Dec 16 09:49:34 GMT 2023
PRIMARY
CAS
4491-19-4
Created by admin on Sat Dec 16 09:49:34 GMT 2023 , Edited by admin on Sat Dec 16 09:49:34 GMT 2023
PRIMARY