Citrinin
Properties
- Molecular formula
- C13H14O5
- Molar mass
- 250.25 g/mol
- Exact mass
- 250.0841 Da
- Melting point
- 178.5 °C (decomposes)
- logP
- 1.72Crippen estimate
- Polar surface area
- 83.8 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 1
- Stereocentres
- R, Sin SMILES atom order
Identifiers
CAS number
518-75-2SMILES
CC1=C2C(=CO[C@H](C)[C@H]2C)C(O)=C(C(=O)O)C1=OInChIKey
CQIUKKVOEOPUDV-IYSWYEEDSA-NInChI
InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R,4S)-
- 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3R-trans)-
- (3R,4S)-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
- 4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
- (-)-Citrinin
- NSC 186