Synonyms |
(3b,4a,16a)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 3-O-b-D-glucopyranosyl-b-D-fucoside; (3β,4α,16α)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-β-D-galactopyranoside |
IUPAC Name |
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
Molecular Weight |
780.98 |
Molecular Formula |
C42H68O13 |
Canonical SMILES |
CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC5=C6CC(CCC6(C(CC54C)O)CO)(C)C)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O |
InChI |
1S/C42H68O13/c1-21-29(47)34(55-35-32(50)31(49)30(48)24(18-43)53-35)33(51)36(52-21)54-28-11-12-38(4)25(39(28,5)19-44)10-13-40(6)26(38)9-8-22-23-16-37(2,3)14-15-42(23,20-45)27(46)17-41(22,40)7/h8-9,21,24-36,43-51H,10-20H2,1-7H3/t21-,24-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35+,36+,38+,39+,40-,41-,42-/m1/s1 |
InChIKey |
WRYJYFCCMSVEPQ-ORAXXRKOSA-N |
Boiling Point |
909.9±65.0 °C at 760 mmHg |
Melting Point |
231-238 °C |
Flash Point |
504.1±34.3 °C |
Purity |
>98% |
Density |
1.4±0.1 g/cm3 |
Solubility |
Soluble in DMSO (10 mM) |
Appearance |
Powder |
Application |
Anti-Inflammatory Agents, Non-Steroidal |
Storage |
Store at 2-8 °C for short term (days to weeks) or -20 °C for long term (months to years) |
Complexity |
1500 |
Exact Mass |
780.46599222 |
Index Of Refraction |
1.619 |
PSA |
218.99000 |
Target |
HCV |
Vapor Pressure |
0.0±0.6 mmHg at 25°C |
XLogP3-AA |
2.5 |