Saikosaponin B2

Catalog	BBC58316419
CAS	58316-41-9
Structure
Description	Saikosaponin B2 is an active component from Bupleurum chinensis root, acts as an entry inhibitor against HCV infection. Anti-cancer activity.
Synonyms	[(4R)-16α,23,28-Trihydroxy-11,12,13,18-tetradehydrooleanan-3β-yl]3-O-(β-D-glucopyranosyl)-6-deoxy-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	C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=CC5=C6CC(CC[C@@]6([C@@H](C[C@]54C)O)CO)(C)C)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O
InChI	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
InChI Key	WRYJYFCCMSVEPQ-ORAXXRKOSA-N
Boiling Point	909.9±65.0 °C
Melting Point	231-238 °C
Purity	98%
Density	1.35±0.1 g/ml
Appearance	White powder
Storage	4°C, protect from light*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light).
pKa	12.83±0.70