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Phomopsinone D

CAT: 0013-GTR19227996-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227996-01Size:1 mg
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Description
Phomopsinone D (CAS 1374428-46-2) is a research chemical employed in life science studies. It serves as a valuable tool compound for in vitro investigations within natural product research and medicinal chemistry, exploring bioactive secondary metabolites.
CAS Number
1374428-46-2
Smiles
CCC[C@@H]1OCc2c (OC) cc (=O) oc2[C@@H]1O
Molecular Formula
C12H16O5
Molecular Weight
240.255
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phomopsinone D

Phomopsinone D is a pyranone.

CAS Number1374428-46-2
PubChem CID101578425
IUPAC Name(7S,8R)-8-hydroxy-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
Molecular FormulaC12H16O5
Molecular Weight240.25
XLogP-0.1
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity382
SMILES
CCC[C@H]1[C@H](C2=C(CO1)C(=CC(=O)O2)OC)O
InChI
InChI=1S/C12H16O5/c1-3-4-8-11(14)12-7(6-16-8)9(15-2)5-10(13)17-12/h5,8,11,14H,3-4,6H2,1-2H3/t8-,11+/m0/s1
InChIKey
VWYYNACOORUTNR-GZMMTYOYSA-N
Chemical Structure
2D Structure
2D structure of Phomopsinone D
CAS: 1374428-46-2
CID: 101578425
Formula: C12H16O5
MW: 240.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.25
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass240.09977361
Monoisotopic Mass240.09977361
Topological Polar Surface Area65 Ų
Heavy Atom Count17
Formal Charge0
Complexity382
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

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CatalogName
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