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β-Sitosterol - 70%

CAT: 0926-FS12899-02Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FS12899-02Size:0.25 kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83-46-5
MDL Number
MFCD00003631
Smiles
CC[C@H] (CC[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
Molecular Formula
C29H50O
Molecular Weight
414.71 g/mol
Controlled
No

Chemical Information

(-)-beta-Sitosterol

Sitosterol is a member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3. It has a role as an antioxidant, an anticholesteremic drug, a sterol methyltransferase inhibitor, a mouse metabolite and a plant metabolite. It is a stigmastane sterol, a 3beta-hydroxy-Delta(5)-steroid, a C29-steroid, a member of phytosterols and a 3beta-sterol. It derives from a hydride of a stigmastane.

CAS Number83-46-5
PubChem CID222284
IUPAC Name(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-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 FormulaC29H50O
Molecular Weight414.7
XLogP9.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity634
SMILES
CC[C@H](CC[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/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey
KZJWDPNRJALLNS-VJSFXXLFSA-N
Chemical Structure
2D Structure
2D structure of (-)-beta-Sitosterol
CAS: 83-46-5
CID: 222284
Formula: C29H50O
MW: 414.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.7
XLogP39.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass414.386166214
Monoisotopic Mass414.386166214
Topological Polar Surface Area20.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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