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Brassicasterol

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Category Herpes simplex Virus (HSV)
CAS 474-67-9
Description A phytosterol found in canola oil, rapeseed oil, marine algae and shellfish. Brassicasterol can increase accumulation of demosterol, a cholesterol precursor and substrate and inhibit cholesterol formation in HL-60 cells in a dose-dependent manner. It also inhibits the hemolytic activity of pneumolysin from S. pneumoniae.
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Product Information

Synonyms (3β,22E)-Ergosta-5,22-dien-3-ol; 24-Methylcholesta-5,22-dien-3β-ol; Brassicasterin; Ergosta-5,22(E)-dien-3β-ol
IUPAC Name (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-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 Weight 398.66
Molecular Formula C28H46O
Canonical SMILES CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey OILXMJHPFNGGTO-ZAUYPBDWSA-N
Boiling Point 488.7 °C at 760 mmHg
Melting Point 146-147.5 °C
Flash Point 213.3±12.4 °C
Purity ≥95%
Density 1.0±0.1 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance White to Off-white Solid
Shelf Life 1 Year
Storage Store at -20°C
Complexity 659
Exact Mass 398.354866087
Index Of Refraction 1.532
PSA 20.23000
Target Androgen Receptor; HSV; Bacterial; Drug Metabolite
Vapor Pressure 0.0±2.8 mmHg at 25°C
XLogP3-AA 8

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