Products for Research Use Only
RegisterLogin

α-Spinasterol

CAT: 0931-TN1377-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN1377-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
481-18-5
Target
Antibacterial, TRP/TRPV Channel, COX
Related Pathways
Membrane transporter/Ion channel, Microbiology/Virology, Neuroscience, Immunology/Inflammation
Purity
0.9958
Bioactivity
α-Spinasterol is a transient receptor potential vanilloid 1 (TRPV1) antagonist, has anti-inflammatory, antidepressant, antioxidant and antinociceptive effects. α-Spinasterol inhibits COX-1 andCOX-2 activities with IC50 values of 16.17 μM and 7.76 μM, respectively.
Smiles
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])C[C@@H](O)CC[C@]12C
Molecular Formula
C29H48O
Molecular Weight
412.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Alpha-Spinasterol

Alpha-Spinasterol is a steroid. It derives from a hydride of a stigmastane.

CAS Number481-18-5
PubChem CID5281331
IUPAC Name(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC29H48O
Molecular Weight412.7
XLogP8.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity674
SMILES
CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey
JZVFJDZBLUFKCA-FXIAWGAOSA-N
Chemical Structure
2D Structure
2D structure of Alpha-Spinasterol
CAS: 481-18-5
CID: 5281331
Formula: C29H48O
MW: 412.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.7
XLogP38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass412.370516150
Monoisotopic Mass412.370516150
Topological Polar Surface Area20.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T125257-01α-Spinasterone

Alternative Products

CatalogName
B5695-.5?-Spinasterol
FS74056-01A-Spinasterol
167199α-Spinasterol
584429Spinasterol
GTR19155569-01Alpha-Spinasterol
HY-N2850-01α-Spinasterol acetate
AB2629α-Spinasterol glucoside
MS44386-01A-Spinasterol glucoside
379556Alpha-Spinasterol glucoside
TB01451alpha-Spinasterol acetate

Popular Products