Basic information
- CAS
39012-16-3- Standard SMILES
CCCCCC1CC2=C(CC(O)(CCCC)CC3=C1C(=O)OC3=O)C(=O)OC2=O- InChIKey
FLCKGELADIJEEM-UHFFFAOYSA-N- Molecular formula
- C22H28O7
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.18350323
Overview
Scytalidin is an organooxygen compound. It is functionally related to a tetracarboxylic acid.
Names & identifiers
- Preferred name
- CID 314965
- IUPAC
- 10-butyl-10-hydroxy-2-pentyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
- English name
- (4S,10R)-10-Butyl-5,9,10,11-tetrahydro-10-hydroxy-4-pentyl-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone
- Molecular formula
- C22H28O7
- Molecular weight
- 404.45
Names & synonyms
NSC236264CHEBI:219785DTXSID90102073710-Butyl-10-hydroxy-2-pentyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone10-Butyl-10-hydroxy-4-pentyl-5,9,10,11-tetrahydro-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone10-Butyl-10-hydroxy-4-pentyl-5,9,10,11-tetrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6,8(4H)-tetrone907202-96-4Scytalidic acidScytalidin(4S,10R)-10-Butyl-5,9,10,11-tetrahydro-10-hydroxy-4-pentyl-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone, 10-butyl-5,9,10,11-tetrahydro-10-hydroxy-4-pentyl-, (4S,10R)-
Database identifiers
- CAS
39012-16-3、907202-96-4- PubChem CID
- 314965
- DTXSID
DTXSID901020737- ChEBI
CHEBI:219785
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 804
Physicochemical properties
- FDA UNII
- 144 P4YH · IFK144P4YH
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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