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Details

Stereochemistry EPIMERIC
Molecular Formula C13H21NO4
Molecular Weight 255.3101
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9-ANGELYLPLATYNECINE N-OXIDE

SMILES

C\C=C(\C)C(=O)OC[C@H]1CC[N+]2([O-])CC[C@@H](O)[C@@H]12

InChI

InChIKey=KYGSZEVOLTXWQX-HAMNSKEUSA-N
InChI=1S/C13H21NO4/c1-3-9(2)13(16)18-8-10-4-6-14(17)7-5-11(15)12(10)14/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11-,12-,14?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
9-ANGELYLPLATYNECINE N-OXIDE
Common Name English
9-ANGELYLPLATYNECINE-N-OXIDE
Preferred Name English
((1S,7R,7AR)-HEXAHYDRO-7-HYDROXY-4-OXIDO-1H-PYRROLIZIN-1-YL)METHYL (2Z)-2-METHYL-2-BUTENOATE
Systematic Name English
2-BUTENOIC ACID, 2-METHYL-, ((1S,7R,7AR)-HEXAHYDRO-7-HYDROXY-4-OXIDO-1H-PYRROLIZIN-1-YL)METHYL ESTER, (2Z)-
Systematic Name English
2-BUTENOIC ACID, 2-METHYL-, (HEXAHYDRO-7-HYDROXY-4-OXIDO-1H-PYRROLIZIN-1-YL)METHYL ESTER, (1S-(1.ALPHA.(Z),7.ALPHA.,7A.BETA.))-
Systematic Name English
Code System Code Type Description
PUBCHEM
162625111
Created by admin on Tue Apr 01 18:19:58 GMT 2025 , Edited by admin on Tue Apr 01 18:19:58 GMT 2025
PRIMARY
CAS
94054-33-8
Created by admin on Tue Apr 01 18:19:58 GMT 2025 , Edited by admin on Tue Apr 01 18:19:58 GMT 2025
PRIMARY
FDA UNII
T4Y5BZ32KZ
Created by admin on Tue Apr 01 18:19:58 GMT 2025 , Edited by admin on Tue Apr 01 18:19:58 GMT 2025
PRIMARY