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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H27NO4
Molecular Weight 285.3792
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COROMANDALINE

SMILES

CC(C)[C@@](O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12

InChI

InChIKey=BWQSLRZZOVFVHJ-UKTARXLSSA-N
InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12+,13+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H27NO4
Molecular Weight 285.3792
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 18:33:37 GMT 2025
Edited
by admin
on Tue Apr 01 18:33:37 GMT 2025
Record UNII
83O0704DF2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COROMANDALINE
Common Name English
BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, ((1R,7AS)-HEXAHYDRO-1H-PYRROLIZIN-1-YL)METHYL ESTER, (2R,3R)-
Preferred Name English
BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (HEXAHYDRO-1H-PYRROLIZIN-1-YL)METHYL ESTER, (1R-(1.ALPHA.(2R*,3R*),7A.ALPHA.))-
Systematic Name English
Code System Code Type Description
PUBCHEM
155154
Created by admin on Tue Apr 01 18:33:37 GMT 2025 , Edited by admin on Tue Apr 01 18:33:37 GMT 2025
PRIMARY
CAS
68473-86-9
Created by admin on Tue Apr 01 18:33:37 GMT 2025 , Edited by admin on Tue Apr 01 18:33:37 GMT 2025
PRIMARY
FDA UNII
83O0704DF2
Created by admin on Tue Apr 01 18:33:37 GMT 2025 , Edited by admin on Tue Apr 01 18:33:37 GMT 2025
PRIMARY