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Stigmastan-3β-ol

CAT: 0804-HY-144513-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-144513-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Stigmastan-3β-ol is a sterol that can be isolated from Tinospora sinensis and Ginkgo biloba L.. Stigmastan-3β-ol has antimicrobial activity[1][2].
CAS Number
19466-47-8
UNSPSC
12352211
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/stigmastan-3β-ol.html
Purity
99.70
Solubility
Ethanol : 5 mg/mL (ultrasonic)
Smiles
C[C@@]12[C@](CC[C@]2([H])[C@H](C)CC[C@@H](CC)C(C)C)([H])[C@@]3([H])[C@@](CC1)([H])[C@@]4(C(C[C@H](CC4)O)CC3)C
Molecular Formula
C29H52O
Molecular Weight
416.72
References & Citations
[1]Lu Y C, et al. Chemical Composition and Antimicrobial Activity of the CO2 Extract of Tinospora sinensis. Chemistry of Natural Compounds. 2018, 54: 538-540. |[2]Wang CZ, et al. Studies on separation of sterols from Ginkgo biloba L. by molecular distillation and recrystallization. 2008.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Stigmastan-3beta-ol

Fucostanol has been reported in Diplopterygium glaucum, Kalanchoe petitiana, and other organisms with data available.

CAS Number19466-47-8
PubChem CID15559396
IUPAC Name(3S,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]2CCC4[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-KZXGMYDKSA-N
Chemical Structure
2D Structure
2D structure of Stigmastan-3beta-ol
CAS: 19466-47-8
CID: 15559396
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 Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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