| CAS Number | 58316-41-9 |
| Catalog Number | AG00E9OC(AGN-PC-0SPNPF) |
| Chemical Name | Saikosaponin B2 |
| 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 |
| 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 |
| MDL Number | MFCD00210366 |
| Molecular Formula | C42H68O13 |
| Molecular Weight | 780.9815 |
| SMILES | O[C@H]([C@H]([C@H]([C@@H](CO)O1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C)O2)O)O)O)[C@@H]1O[C@@H]3CC[C@]4(C)C5C=CC6=C7CC(C)(C)CC[C@@](CO)7[C@@H](O)C[C@](C)6[C@@](C)5CCC4[C@@]3(C)CO |
| Synonyms | saikosaponin,
saikosaponin A,
saikosaponin B,
saikosaponin B1,
saikosaponin B2,
saikosaponin B3,
saikosaponin B4,
saikosaponin C,
saikosaponin D,
saikosaponin K,
saikosaponin L,
saikosaponins,
Saikosaponin B2,
58316-41-9,
Saikosaponin-B2,
SaikosaponinB2,
SCHEMBL7523565,
CHEMBL3792981,
WRYJYFCCMSVEPQ-ORAXXRKOSA-N,
ZINC85643336,
P556,
316S419,
C-23519,
Q-100669,
CS-AD-00516,
C42H68O13,
ACN-046969,
|