Description:
Escin Ia is a triterpenoid saponin isolated from A. chinensis. It was shown to inhibit HIV-1 protease with IC50 value of 35 μM.
- Molecular Weight: 1131.3
- Molecular Formula: C55H86O24
Purity: >98%
Canonical SMILES:
CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CO)OC(=O)C
InChI:
InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1
InChIKey: AXNVHPCVMSNXNP-IVKVKCDBSA-N
- Boiling Point: 1140.6±65.0 °C at 760 mmHg
- Solubility: In Vitro: DMSO : 100 mg/mL(88.40 mM;Need ultrasonic)In Vivo: 1.Add each solvent one by one: 10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% salineSolubility: ≥ 2.5 mg/mL (2.21 mM); Clear solution
- Appearance: Powder
- Storage: 4°C, protect from light* In solvent : -80°C, 6 months-20°C, 1 month (protect from light)
Synonyms:
Aescin A; alpha-Escin
More details are to be found on supplier website
