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Arnidiol

CAT: 0931-TN1111-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1111-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6750-30-7
Target
Immunology/Inflammation related
Related Pathways
Immunology/Inflammation
Purity
0.9969
Bioactivity
Arnidiol, a pentacyclic triterpene isolated from Barleria Longiflora Linn, exhibits anti-inflammatory activity, notably inhibiting 12-O-tetradecanoylphorbol-13-acetate (TPA) -induced inflammation in mice.
Smiles
[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@@]1(C)CCC(=C)[C@@H](C)[C@]21[H]
Molecular Formula
C30H50O2
Molecular Weight
442.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arnidiol

Arnidenediol is a triterpenoid.

CAS Number6750-30-7
PubChem CID10478550
IUPAC Name(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene-3,8-diol
Molecular FormulaC30H50O2
Molecular Weight442.7
XLogP7.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count32
Formal Charge0
Complexity801
SMILES
C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(C[C@@H]([C@]2(CCC1=C)C)O)C)C)(C)C)O)C
InChI
InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23+,24+,25-,27+,28-,29-,30-/m1/s1
InChIKey
IOPDFSGGBHSXSV-IMLFCHQCSA-N
Chemical Structure
2D Structure
2D structure of Arnidiol
CAS: 6750-30-7
CID: 10478550
Formula: C30H50O2
MW: 442.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.7
XLogP37.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass442.381080833
Monoisotopic Mass442.381080833
Topological Polar Surface Area40.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity801
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
AB2213Arnidiol
TRC-A246710-25MGArnidiol 3-Palmitate
TRC-A246715-25MGArnidiol 3-Laurate
TRC-A246713-25MGArnidiol 3-Myristate

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