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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H41NO9.ClH
Molecular Weight 536.055
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Aconine hydrochloride

SMILES

Cl.CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@@]3([C@@H]5C[C@@]6(O)[C@H](O)[C@@H]5[C@]4(O)[C@@H](O)[C@@H]6OC)[C@H](C[C@H]2O)OC

InChI

InChIKey=VYCYKIMOQJFYBT-QLAPATKWSA-N
InChI=1S/C25H41NO9.ClH/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24;/h11-21,27-31H,6-10H2,1-5H3;1H/t11-,12-,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+,25-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Aconine hydrochloride
Common Name English
Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, hydrochloride, (1?,3?,6?,14?,15?,16?)-
Preferred Name English
Code System Code Type Description
PUBCHEM
164512915
Created by admin on Wed Apr 02 11:19:10 GMT 2025 , Edited by admin on Wed Apr 02 11:19:10 GMT 2025
PRIMARY
FDA UNII
R6WPG9KYE3
Created by admin on Wed Apr 02 11:19:10 GMT 2025 , Edited by admin on Wed Apr 02 11:19:10 GMT 2025
PRIMARY
CAS
107801-58-1
Created by admin on Wed Apr 02 11:19:10 GMT 2025 , Edited by admin on Wed Apr 02 11:19:10 GMT 2025
PRIMARY