Sclerin
Basic information
- CAS
13277-76-4- Standard SMILES
Cc1c(C)c(O)c2c(c1C)C(C)C(=O)OC2=O- InChIKey
PXPDDNZJJKVTBG-UHFFFAOYSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.08920892
Overview
Sclerin has been reported in Sclerotinia sclerotiorum with data available.
Names & identifiers
- Preferred name
- Sclerin
- IUPAC
- 8-hydroxy-4,5,6,7-tetramethyl-4H-isochromene-1,3-dione
Names & synonyms
Sclerin13277-76-48-hydroxy-4,5,6,7-tetramethyl-4H-isochromene-1,3-dioneELE52K6XDKNSC-124473RefChem:181900(+)-8-Hydroxy-4,5,6,7-tetramethyl-1H-2-benzopyran-1,3(4H)-dioneNSC124473NSC 124473UNII-ELE52K6XDKorb3179304TN12913
Show more names
1H-2-Benzopyran-1,3(4H)-dione, 8-hydroxy-4,5,6,7-tetramethyl-, (+)-
Database identifiers
- CAS
13277-76-4- PubChem CID
- 98411
- UNII
- ELE52K6XDK
- Nikkaji
- J759.158F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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