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Scytalidin

CAT: 0013-GTR19256277-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256277-01Size:50 mg
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Description
Scytalidin, a type of terpene antibiotic, exhibits antifungal properties.
CAS Number
39012-16-3
Field of Research
Infectious Disease & Virology
Smiles
C (CCCC) [C@@H]1C2=C (C[C@] (CCCC) (O) CC3=C (C1) C (=O) OC3=O) C (=O) OC2=O
Molecular Formula
C22H28O7
Molecular Weight
404.453
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Scytalidic acid

(2S,10R)-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 has been reported in Scytalidium album with data available.

CAS Number39012-16-3
PubChem CID101316853
IUPAC Name(2S,10R)-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
Molecular FormulaC22H28O7
Molecular Weight404.5
XLogP3.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity804
SMILES
CCCCC[C@H]1CC2=C(C[C@@](CC3=C1C(=O)OC3=O)(CCCC)O)C(=O)OC2=O
InChI
InChI=1S/C22H28O7/c1-3-5-7-8-13-10-14-15(19(24)28-18(14)23)11-22(27,9-6-4-2)12-16-17(13)21(26)29-20(16)25/h13,27H,3-12H2,1-2H3/t13-,22+/m0/s1
InChIKey
FLCKGELADIJEEM-WHEQGISXSA-N
Chemical Structure
2D Structure
2D structure of Scytalidic acid
CAS: 39012-16-3
CID: 101316853
Formula: C22H28O7
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass404.18350323
Monoisotopic Mass404.18350323
Topological Polar Surface Area107 Ų
Heavy Atom Count29
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N13929Scytalidin

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