| Identification | Back Directory | [Name]
SCLEROTIORIN | [CAS]
549-23-5 | [Synonyms]
SCLEROTIORIN
(S-(R*,R*-(E,E)))-SCLEROTIORIN
(R)-7-Acetoxy-5-chloro-3-[(S,1E,3E)-3,5-dimethyl-1,3-heptadienyl]-7-methyl-6H-2-benzopyran-6,8(7H)-dione
7-(Acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6H-2-benzopyran-6,8(7H)-dione
6H-2-Benzopyran-6,8(7H)-dione, 7-(acetyloxy)-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-, (7R)- | [Molecular Formula]
C21H23ClO5 | [MDL Number]
MFCD03427490 | [MOL File]
549-23-5.mol | [Molecular Weight]
390.86 |
| Chemical Properties | Back Directory | [Melting point ]
206-207℃ | [alpha ]
[α]D20 +450～+550゜ (c=1, CHCl3) | [Boiling point ]
482.9±45.0 °C(Predicted) | [density ]
1.23±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMF: 30 mg/ml; DMF:PBS(pH7.2) (1:2): 0.3 mg/ml; DMSO: 20 mg/ml; Ethanol: 3 mg/ml | [form ]
A crystalline solid | [color ]
Yellow | [InChI]
InChI=1S/C21H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)19(24)21(5,27-14(4)23)20(25)18(16)22/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,21+/m0/s1 | [InChIKey]
SWJLTKXURNHVHE-UPWXJBBJSA-N | [SMILES]
C1(/C=C/C(/C)=C/[C@@H](C)CC)OC=C2C(=O)[C@](OC(C)=O)(C)C(=O)C(Cl)=C2C=1 |
| Hazard Information | Back Directory | [Uses]
Sclerotiorin is a natural product isolated primarily from?Penicilliumspecies. | [Definition]
ChEBI: Sclerotiorin is an azaphilone. | [storage]
Store at -20°C |
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