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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

[H][C@@]12CC[C@@]3(C)C[C@@]1(C\C3=N\NC(=O)C4=CC=NC=C4)CC[C@]5([H])[C@@](C)(CCC[C@@]25C)C(=O)OC

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 Sat Dec 16 18:30:07 UTC 2023
Edited
by admin
on Sat Dec 16 18:30:07 UTC 2023
Record UNII
JFT9TS6MW9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL-16-(4-PYRIDINOYLHYDRAZONO)-ENT-BEYERAN-19-OATE
Common Name English
17-NORKAURAN-18-OIC ACID, 13-METHYL-16-(2-(4-PYRIDINYLCARBONYL)HYDRAZINYLIDENE)-, METHYL ESTER, (4.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
162368376
Created by admin on Sat Dec 16 18:30:08 UTC 2023 , Edited by admin on Sat Dec 16 18:30:08 UTC 2023
PRIMARY
CAS
1334421-50-9
Created by admin on Sat Dec 16 18:30:08 UTC 2023 , Edited by admin on Sat Dec 16 18:30:08 UTC 2023
PRIMARY
FDA UNII
JFT9TS6MW9
Created by admin on Sat Dec 16 18:30:08 UTC 2023 , Edited by admin on Sat Dec 16 18:30:08 UTC 2023
PRIMARY
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