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Stigmastanol

CAT: 1299-RM-S241000-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S241000-02Size:25 mg
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CAS Number
83-45-4
Synonyms
(3S,8R,9S,10S,13R,14S,17R) -17- ((2R,5R) -5-ethyl-6-methylheptan-2-yl) -10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Formula
C29H52O
Molecular Weight
416.73
Target Alternative Name
Stigmastanol
Product Name Synonym
(3S,8R,9S,10S,13R,14S,17R) -17- ((2R,5R) -5-ethyl-6-methylheptan-2-yl) -10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol

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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B8917-10Stigmastanol
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A19002-25Stigmastanol 25mg
A19002-5Stigmastanol 5mg
A19002-1Stigmastanol 1mg
A19002-200Stigmastanol 200mg
A19002-50Stigmastanol 50mg
A19002-10Stigmastanol 10mg
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