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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O2
Molecular Weight 258.3554
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of BUPLEUROTOXIN

SMILES

CCC[C@H](O)CC\C=C\C=C\C#CC#C\C=C/CO

InChI

InChIKey=UPXPHJXYZGEBCW-PFTJZPSUSA-N
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-/t17-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
BUPLEUROTOXIN
Common Name English
2,8,10-HEPTADECATRIENE-4,6-DIYNE-1,14-DIOL, (14S,2Z,8E,10E)-
Systematic Name English
(+)-BUPLEUROTOXIN
Common Name English
2,8,10-HEPTADECATRIENE-4,6-DIYNE-1,14-DIOL, (Z,E,E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
44613554
Created by admin on Sat Dec 16 01:48:27 GMT 2023 , Edited by admin on Sat Dec 16 01:48:27 GMT 2023
PRIMARY
FDA UNII
47M62W36U4
Created by admin on Sat Dec 16 01:48:27 GMT 2023 , Edited by admin on Sat Dec 16 01:48:27 GMT 2023
PRIMARY
CAS
111128-27-9
Created by admin on Sat Dec 16 01:48:27 GMT 2023 , Edited by admin on Sat Dec 16 01:48:27 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of BUPLEUROTOXIN
NIH
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