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Stigmasterol

CAT: 0931-T2967-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T2967-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83-48-7
Target
MMP, Endogenous Metabolite
Related Pathways
Metabolism, Proteases/Proteasome
Purity
0.9997
Bioactivity
Stigmasterol (Stigmasterin) is a phytosterol with major functions in the maintenance of cell membrane structure and physiology. Stigmasterol lowers cholesterol levels and has anti-tumor, anti-inflammatory, and immunomodulatory effects.
Smiles
[H][C@@]12CC[C@H]([C@H](C)\C=C\[C@@H](CC)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C
Molecular Formula
C29H48O
Molecular Weight
412.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Stigmasterol

Stigmasterol is a 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions. It has a role as a plant metabolite. It is a stigmastane sterol, a 3beta-hydroxy-Delta(5)-steroid, a member of phytosterols and a 3beta-sterol. It derives from a hydride of a stigmastane.

CAS Number83-48-7
PubChem CID5280794
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC29H48O
Molecular Weight412.7
XLogP8.6
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]3[C@H]2CC=C4[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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey
HCXVJBMSMIARIN-PHZDYDNGSA-N
Chemical Structure
2D Structure
2D structure of Stigmasterol
CAS: 83-48-7
CID: 5280794
Formula: C29H48O
MW: 412.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.7
XLogP38.6
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

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