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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H21NO3
Molecular Weight 239.3107
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PETASININE

SMILES

C\C=C(\C)C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1CO

InChI

InChIKey=HQARVRYBUBTANR-JTPMTOLCSA-N
InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H21NO3
Molecular Weight 239.3107
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:52:57 GMT 2025
Edited
by admin
on Mon Mar 31 18:52:57 GMT 2025
Record UNII
5F7O38APH6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTENOIC ACID, 2-METHYL-, (1S,2R,7AS)-HEXAHYDRO-1-(HYDROXYMETHYL)-1H-PYRROLIZIN-2-YL ESTER, (2Z)-
Preferred Name English
PETASININE
Common Name English
PETASINECINE ANGELATE
Common Name English
ANGELOYLPETASINECINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID601128893
Created by admin on Mon Mar 31 18:52:57 GMT 2025 , Edited by admin on Mon Mar 31 18:52:57 GMT 2025
PRIMARY
CAS
70474-33-8
Created by admin on Mon Mar 31 18:52:57 GMT 2025 , Edited by admin on Mon Mar 31 18:52:57 GMT 2025
PRIMARY
FDA UNII
5F7O38APH6
Created by admin on Mon Mar 31 18:52:57 GMT 2025 , Edited by admin on Mon Mar 31 18:52:57 GMT 2025
PRIMARY
PUBCHEM
6440436
Created by admin on Mon Mar 31 18:52:57 GMT 2025 , Edited by admin on Mon Mar 31 18:52:57 GMT 2025
PRIMARY