Wilfortrine

Category	Human immunodeficiency Virus (HIV)
CAS	37239-48-8
Description	Wilfortrine is a natural compound of the sesquiterpenoid class found in the roots of Tripterygium wilfordii Hook. f. Wilfortrine exhibits an inhibitory effect on liver cancer cell proliferation.

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Synonyms	Evonimine, 8-(acetyloxy)-O(sup 2)-deacetyl-8-deoxo-O(sup 2)-(3-furanylcarbonyl)-26-hydroxy-, (8-alpha)-
Molecular Weight	873.814
Molecular Formula	C41H47NO20
Canonical SMILES	CC(=O)OCC12C(C(C3C(C14C(C(C(C2OC(=O)C)OC(=O)C5=COC=C5)OC(=O)C(CCC6=C(C=CC=N6)C(=O)OCC3(O4)C)(C)O)(C)O)OC(=O)C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3/t27-,28-,29+,30-,31+,32-,33+,37?,38+,39?,40-,41+/m1/s1
InChIKey	JOKOHWLSQAZHFX-FYBNDBPCSA-N
Boiling Point	884.4±65.0 °C at 760 mmHg
Flash Point	488.6±34.3 °C
Purity	>98%
Density	1.5±0.1 g/cm3
Solubility	Soluble in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	1840
Exact Mass	873.26914289
Index Of Refraction	1.592
PSA	286.12000
Target	HIV
Vapor Pressure	0.0±0.3 mmHg at 25°C
XLogP3-AA	0.3