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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

[H][C@@]12CCCN1C[C@H](OC(=O)C(\C)=C/C)[C@@H]2CO

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

Approval Year

Unknown
139594
Name Type Language
PETASININE
Common Name English
PETASINECINE ANGELATE
Common Name English
ANGELOYLPETASINECINE
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (1S,2R,7AS)-HEXAHYDRO-1-(HYDROXYMETHYL)-1H-PYRROLIZIN-2-YL ESTER, (2Z)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID601128893
Created by admin on Fri Dec 15 17:47:30 GMT 2023 , Edited by admin on Fri Dec 15 17:47:30 GMT 2023
PRIMARY
CAS
70474-33-8
Created by admin on Fri Dec 15 17:47:30 GMT 2023 , Edited by admin on Fri Dec 15 17:47:30 GMT 2023
PRIMARY
FDA UNII
5F7O38APH6
Created by admin on Fri Dec 15 17:47:30 GMT 2023 , Edited by admin on Fri Dec 15 17:47:30 GMT 2023
PRIMARY
PUBCHEM
6440436
Created by admin on Fri Dec 15 17:47:30 GMT 2023 , Edited by admin on Fri Dec 15 17:47:30 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of PETASININE
NIH
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