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Stigmastanol

CAT: 0931-T16943-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T16943-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83-45-4
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9807
Bioactivity
Stigmastanol is a phytosterol isolated from Hypericum riparium, which is a Cameroonian medicinal plant.
Smiles
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C
Molecular Formula
C29H52O
Molecular Weight
416.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sitostanol

Stigmastanol is a 3-hydroxy steroid that is 5alpha-stigmastane which is substituted at the 3beta position by a hydroxy group. It has a role as an anticholesteremic drug and a plant metabolite. It is a member of phytosterols and a 3-hydroxy steroid. It derives from a hydride of a 5alpha-stigmastane.

CAS Number83-45-4
PubChem CID241572
IUPAC Name(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC29H52O
Molecular Weight416.7
XLogP10.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity583
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
InChI
InChI=1S/C29H52O/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/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey
LGJMUZUPVCAVPU-HRJGVYIJSA-N
Chemical Structure
2D Structure
2D structure of Sitostanol
CAS: 83-45-4
CID: 241572
Formula: C29H52O
MW: 416.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.7
XLogP310.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass416.401816278
Monoisotopic Mass416.401816278
Topological Polar Surface Area20.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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