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Tirucallol

CAT: 0013-GTR19167368-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167368-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tirucallol is a natural small molecule isolated from Euphorbia lactea with demonstrated topical anti-inflammatory activity in vivo. Its mechanism is associated with the inhibition of neutrophil migration, making it a candidate for research in inflammation and immunology.
CAS Number
514-46-5
Product Name Alternative
Antiinflammatory, Euphorbia, Inhibitor, latex, lacteal, NO Synthase, inhibit, NOS, NOSynthase, Prostaglandin Receptor, ProstaglandinReceptor, PGE, Tirucallol, tetracyclic, triterpene
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
98.52% (May vary between batches)
Solubility
DMSO:4.27 mg/mL (10.01 mM)
Smiles
[H][C@]1 (CC[C@]2 (C) C3=C (CC[C@@]12C) [C@@]1 (C) CC[C@H] (O) C (C) (C) [C@]1 ([H]) CC3) [C@@H] (C) CCC=C (C) C
Molecular Formula
C30H50O
Molecular Weight
426.72
Storage Conditions
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

(+)-Tirucallol

Tirucallol is a triterpenoid.

CAS Number514-46-5
PubChem CID101257
IUPAC Name(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC30H50O
Molecular Weight426.7
XLogP8.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity767
SMILES
C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
InChI
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25-,26-,28+,29-,30+/m0/s1
InChIKey
CAHGCLMLTWQZNJ-HGKXYCPESA-N
Chemical Structure
2D Structure
2D structure of (+)-Tirucallol
CAS: 514-46-5
CID: 101257
Formula: C30H50O
MW: 426.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.7
XLogP38.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass426.386166214
Monoisotopic Mass426.386166214
Topological Polar Surface Area20.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count7
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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