Triptonine B

Category	Human immunodeficiency Virus (HIV)
CAS	168009-85-6
Description	Triptonine B is a natural compound of the sesquiterpenoid class found in the roots of Tripterygium wilfordii Hook. f. Triptonine B exhibits a potent activity against HIV.

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Molecular Weight	961.92
Molecular Formula	C45H55NO22
Canonical SMILES	CC1CCC(=O)C(C(=O)OCC23C(C(C4C(C25C(C(C(C3OC(=O)C)OC(=O)C)OC(=O)C(C(C6=C(C=NC=C6)C(=O)OCC4(O5)C)C)(C)O)(C)O)OC(=O)C)OC1=O)OC(=O)C)CC(=O)OC
InChI	InChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3/t19-,20+,26+,30+,31+,32-,33+,34-,35+,36-,41-,42-,43?,44+,45-/m0/s1
InChIKey	GSBZVVMZYQMZBG-DUUKEJRFSA-N
Boiling Point	1003.3±65.0 °C at 760 mmHg
Flash Point	560.6±34.3 °C
Purity	>98%
Density	1.4±0.1 g/cm3
Solubility	Soluble in DMSO
Appearance	White to off-white (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Index Of Refraction	1.580
PSA	316.35000
Target	HIV
Vapor Pressure	0.0±0.3 mmHg at 25°C