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3-Acetyl-beta-boswellic acid

CAT: 0013-GTR19165421-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165421-01Size:1 mg
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Description
3-Acetyl-beta-boswellic acid
CAS Number
5968-70-7
Product Name Alternative
DNA/RNA Synthesis, DNA Synthesis, DNASynthesis, 3-Acetyl-β-boswellic acid, 3-Acetyl-b-boswellic acid, 3Acetylbetaboswellic acid, 3-Acetyl-beta-boswellic acid, 3 Acetyl beta boswellic acid, 3-O-Acetyl-b-boswellic acid, 3-O-Acetyl-beta-boswellic acid, 3-O-Acetyl-β-boswellic acid, Inhibitor, inhibit, RNA Synthesis, RNASynthesis
Field of Research
Cell Biology, Molecular Biology
Purity
95.00% (May vary between batches)
Solubility
DMSO:11 mg/mL (22.06 mM)
Smiles
C[C@@H]1CC[C@]2 (C) CC[C@]3 (C) C (=CC[C@@H]4[C@@]5 (C) CC[C@@H] (OC (C) =O) [C@@] (C) ([C@@H]5CC[C@@]34C) C (O) =O) [C@@H]2[C@H]1C
Molecular Formula
C32H50O4
Molecular Weight
498.74
Storage Conditions
Store at low temperature, keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Acetyl-Beta-Boswellic Acid

3-acetyl-β-boswellic acid has been reported in Boswellia sacra and Boswellia serrata with data available.

CAS Number5968-70-7
PubChem CID11386458
IUPAC Name(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
Molecular FormulaC32H50O4
Molecular Weight498.7
XLogP8.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity985
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C
InChI
InChI=1S/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1
InChIKey
YJBVHJIKNLBFDX-MQURJEHKSA-N
Chemical Structure
2D Structure
2D structure of Acetyl-Beta-Boswellic Acid
CAS: 5968-70-7
CID: 11386458
Formula: C32H50O4
MW: 498.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight498.7
XLogP38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass498.37091007
Monoisotopic Mass498.37091007
Topological Polar Surface Area63.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity985
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

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