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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H37N3O3
Molecular Weight 451.601
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL-16-(4-PYRIDINOYLHYDRAZONO)-ENT-BEYERAN-19-OATE

SMILES

COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(C\C4=N\NC(=O)C5=CC=NC=C5)CC[C@H]12

InChI

InChIKey=VXMRFFVJZYHXJS-UYSGAPTMSA-N
InChI=1S/C27H37N3O3/c1-24-12-6-20-25(2)10-5-11-26(3,23(32)33-4)19(25)7-13-27(20,17-24)16-21(24)29-30-22(31)18-8-14-28-15-9-18/h8-9,14-15,19-20H,5-7,10-13,16-17H2,1-4H3,(H,30,31)/b29-21-/t19-,20-,24-,25+,26+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H37N3O3
Molecular Weight 451.601
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:22:09 GMT 2025
Edited
by admin
on Wed Apr 02 11:22:09 GMT 2025
Record UNII
JFT9TS6MW9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17-NORKAURAN-18-OIC ACID, 13-METHYL-16-(2-(4-PYRIDINYLCARBONYL)HYDRAZINYLIDENE)-, METHYL ESTER, (4.ALPHA.)-
Preferred Name English
METHYL-16-(4-PYRIDINOYLHYDRAZONO)-ENT-BEYERAN-19-OATE
Common Name English
Code System Code Type Description
PUBCHEM
162368376
Created by admin on Wed Apr 02 11:22:09 GMT 2025 , Edited by admin on Wed Apr 02 11:22:09 GMT 2025
PRIMARY
CAS
1334421-50-9
Created by admin on Wed Apr 02 11:22:09 GMT 2025 , Edited by admin on Wed Apr 02 11:22:09 GMT 2025
PRIMARY
FDA UNII
JFT9TS6MW9
Created by admin on Wed Apr 02 11:22:09 GMT 2025 , Edited by admin on Wed Apr 02 11:22:09 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
MIC value of the in vitro growth of Mycobacterium Tuberculosis (H37RV strain) of the new anti-tuberculosis terpenoid derived agent tested was 20 ug/ml.