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Physalin G

CAT: 0013-GTR19180816Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180816Size:5 mg
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Description
Physalin G is a natural small molecule noted for its antinociceptive (pain-inhibiting) activity. It is utilized in neuroscience and pharmacology research, with studies indicating its potential in models of inflammatory and neuropathic pain, supporting both in vitro mechanism of action and in vivo efficacy investigations.
CAS Number
76045-38-0
Smiles
[H][C@@]12C (=O) [C@]34O[C@]11[C@@] (C) (OC (=O) [C@]1 (O) CC[C@@]1 ([H]) [C@@]3 ([H]) C[C@@H] (O) C3=CC=CC (=O) [C@]13C) [C@H]1C[C@]2 (C) [C@@] ([H]) (CO4) C (=O) O1
Molecular Formula
C28H30O10
Molecular Weight
526.538
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Epiphysalin G
CAS Number76045-38-0
PubChem CID145874174
IUPAC Name(1R,2S,5S,8S,9R,15R,17R,18R,21S,24R,26S,27S)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,13-diene-4,10,22,29-tetrone
Molecular FormulaC28H30O10
Molecular Weight526.5
XLogP-0.2
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Heavy Atom Count38
Formal Charge0
Complexity1330
SMILES
C[C@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@](O5)([C@@H]7C[C@H](C8=CC=CC(=O)[C@@]8([C@H]7CC[C@]6(C(=O)O4)O)C)O)OC[C@H]2C(=O)O3)C
InChI
InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16+,18+,19-,23+,24+,25-,26+,27+,28-/m0/s1
InChIKey
CGVBSJOSWAZUIF-NHEONHGESA-N
Chemical Structure
2D Structure
2D structure of 6-Epiphysalin G
CAS: 76045-38-0
CID: 145874174
Formula: C28H30O10
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass526.18389715
Monoisotopic Mass526.18389715
Topological Polar Surface Area146 Ų
Heavy Atom Count38
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes