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Soyasapogenol C

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Category Herpes simplex Virus (HSV)
CAS 595-14-2
Description Soyasapogenol C is found in Glycine max.
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Product Information

Synonyms Sapogenol C
IUPAC Name (3S,4S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol
Molecular Weight 440.70
Molecular Formula C30H48O2
Canonical SMILES CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C=C1)C)C)C)(C)CO)O)C)C
InChI InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3/t21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1
InChIKey VNGUCOGHCJHFID-FLZFTVBESA-N
Purity > 95%
Solubility Methanol; Chloroform
Appearance Powder
Storage Store at -20°C
Complexity 855
Exact Mass 440.365430770
In Vitro Soyasapogenol C shows potent anti-HSV-1 activity (IC50=18.9 μM) with no cytotoxicity (CC50=921 μM).
PSA 40.46000
Target IC50: 18.9 μM (HSV-1)
XLogP3-AA 8.2

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