160625-67-2 (3,14,21-三羟基孕烷-20-酮;(3β,5β,14β)-,3-O-[β-D-吡喃葡萄糖基-(1→6) -β-D-吡喃葡萄糖基-(1→4) -6-脱氧-3-O-甲基-α-L-吡喃甘露糖苷],21-O-β-D-吡喃葡萄糖苷,3,14,21-Trihydroxypregnan-20-one; (3β,5β,14β)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→4)-6-deoxy-3-O-methyl-α-L-mannopyranoside], 21-O-β-D-glucopyranoside)

CAS号:
160625-67-2
中文名称:
3,14,21-三羟基孕烷-20-酮;(3β,5β,14β)-,3-O-[β-D-吡喃葡萄糖基-(1→6) -β-D-吡喃葡萄糖基-(1→4) -6-脱氧-3-O-甲基-α-L-吡喃甘露糖苷],21-O-β-D-吡喃葡萄糖苷
英文名称:
3,14,21-Trihydroxypregnan-20-one; (3β,5β,14β)-form, 3-O-[β-D-Glucopyranosyl-(1→6)-β-D-glucopyranosyl-(1→4)-6-deoxy-3-O-methyl-α-L-mannopyranoside], 21-O-β-D-glucopyranoside
分子式:
C46H76O23
分子量:
997.081857681274
植物源:

3,14,21-三羟基孕烷-20-酮;(3β,5β,14β)-,3-O-[β-D-吡喃葡萄糖基-(1→6) -β-D-吡喃葡萄糖基-(1→4) -6-脱氧-3-O-甲基-α-L-吡喃甘露糖苷],21-O-β-D-吡喃葡萄糖苷(160625-67-2)名称与标识符

标识符

InChIKey:
BSDLPNWWMRSOHO-UHFFFAOYSA-N
Inchi:
1S/C46H76O23/c1-18-38(69-42-36(58)33(55)30(52)27(68-42)17-63-41-35(57)32(54)29(51)26(15-48)67-41)39(61-4)37(59)43(64-18)65-20-7-10-44(2)19(13-20)5-6-22-21(44)8-11-45(3)23(9-12-46(22,45)60)24(49)16-62-40-34(56)31(53)28(50)25(14-47)66-40/h18-23,25-43,47-48,50-60H,5-17H2,1-4H3
SMILES:
COC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(C)OC(OC2CC3CCC4C5(C(C(C(COC6C(O)C(O)C(O)C(CO)O6)=O)CC5)(C)CCC4C3(C)CC2)O)C1O