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Phomopsidin

CAT: 0013-GTR19228475-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228475-05Size:5 mg
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Description
Phomopsidin (CAS 199173-60-9) is a natural product used in life science research, primarily as a potent inhibitor of microtubule assembly. It serves as a valuable tool for studying cytoskeleton dynamics and cell division in both in vitro and in vivo experimental models.
CAS Number
199173-60-9
Smiles
[H][C@@]12C=C (C) [C@H] ([C@@H] (\C=C\C=C\C (O) =O) [C@]1 ([H]) [C@@H] (C) CC[C@@H]2O) C (\C) =C\C
Molecular Formula
C21H30O3
Molecular Weight
330.468
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phomopsidin

Phomopsidin is a medium-chain fatty acid.

CAS Number199173-60-9
PubChem CID10381991
IUPAC Name(2E,4E)-5-[(1S,2R,4aS,5S,8S,8aS)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP4.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity582
SMILES
C/C=C(\C)/[C@H]1[C@H]([C@@H]2[C@H](CC[C@@H]([C@@H]2C=C1C)O)C)/C=C/C=C/C(=O)O
InChI
InChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17-,18-,20+,21-/m0/s1
InChIKey
KNDPLJZJPQWOMQ-FDTXVGEPSA-N
Chemical Structure
2D Structure
2D structure of Phomopsidin
CAS: 199173-60-9
CID: 10381991
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass330.21949481
Monoisotopic Mass330.21949481
Topological Polar Surface Area57.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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