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Isophysalin A

CAT: 1410-M31656-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31656-02Size:5 mg
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Description
Isophysalin A exhibits anti-inflammatory activitiy, it exhibits conjugating abilities with glutathione and also shows significant nitric oxide (NO) production inhibiting activities.
CAS Number
1363398-67-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
526.5
Molecular Formula
C28H30O10
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Isophysalin A

Isophysalin A has been reported in Alkekengi officinarum var. franchetii with data available.

CAS Number1363398-67-7
PubChem CID57387832
IUPAC Name(1S,2S,3R,5R,6S,7R,14R,15S,18S,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,10-diene-13,19,24,27-tetrone
Molecular FormulaC28H30O10
Molecular Weight526.5
XLogP-0.1
Topological Polar Surface Area157
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Heavy Atom Count38
Formal Charge0
Complexity1350
SMILES
C[C@]12C[C@H]([C@]3([C@]45[C@H]1C(=O)[C@](O4)([C@H]6[C@H](CC[C@]5(C(=O)O3)O)[C@]7(C(=O)CC=CC7=C[C@H]6O)C)O)C)OC(=O)C2=C
InChI
InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5-6,10,14-15,17-19,29,34-35H,1,7-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26+,27+,28-/m0/s1
InChIKey
QACVUYYDSXFEJW-HFEQLSJOSA-N
Chemical Structure
2D Structure
2D structure of Isophysalin A
CAS: 1363398-67-7
CID: 57387832
Formula: C28H30O10
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass526.18389715
Monoisotopic Mass526.18389715
Topological Polar Surface Area157 Ų
Heavy Atom Count38
Formal Charge0
Complexity1350
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
380563Isophysalin A
T125763-01Isophysalin G

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