168110-86-9 (3,8,12,14-四羟基孕烷-5-烯-20-酮;(3β,12β,14β,17α)-,12-O-(3,4-二甲基-2E-戊烯酰基),3-O-[β-D-吡喃糖基-(1→4) -β-D-油雄吡喃糖基-(1→4) -β-D-氰基吡喃糖基-(1→4) -β-D-吡喃葡萄糖苷],3,8,12,14-Tetrahydroxypregn-5-en-20-one; (3β,12β,14β,17α)-form, 12-O-(3,4-Dimethyl-2E-pentenoyl), 3-O-[β-D-cymaropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranosyl-(1→4)-β-D-cymaropyranoside])

CAS号:
168110-86-9
中文名称:
3,8,12,14-四羟基孕烷-5-烯-20-酮;(3β,12β,14β,17α)-,12-O-(3,4-二甲基-2E-戊烯酰基),3-O-[β-D-吡喃糖基-(1→4) -β-D-油雄吡喃糖基-(1→4) -β-D-氰基吡喃糖基-(1→4) -β-D-吡喃葡萄糖苷]
英文名称:
3,8,12,14-Tetrahydroxypregn-5-en-20-one; (3β,12β,14β,17α)-form, 12-O-(3,4-Dimethyl-2E-pentenoyl), 3-O-[β-D-cymaropyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranosyl-(1→4)-β-D-cymaropyranoside]
分子式:
C56H90O18
分子量:
1051.30302000046

3,8,12,14-四羟基孕烷-5-烯-20-酮;(3β,12β,14β,17α)-,12-O-(3,4-二甲基-2E-戊烯酰基),3-O-[β-D-吡喃糖基-(1→4) -β-D-油雄吡喃糖基-(1→4) -β-D-氰基吡喃糖基-(1→4) -β-D-吡喃葡萄糖苷](168110-86-9)名称与标识符

标识符

InChIKey:
FKENLMKIJFNLBM-UHFFFAOYSA-N
Inchi:
1S/C56H90O18/c1-28(2)29(3)21-44(58)71-43-27-42-53(9)18-16-36(22-35(53)15-19-55(42,60)56(61)20-17-37(30(4)57)54(43,56)10)70-45-24-39(63-12)50(32(6)67-45)73-47-26-41(65-14)52(34(8)69-47)74-48-25-40(64-13)51(33(7)68-48)72-46-23-38(62-11)49(59)31(5)66-46/h15,21,28,31-34,36-43,45-52,59-61H,16-20,22-27H2,1-14H3
SMILES:
COC1C(O)C(C)OC(OC2C(OC)CC(OC3C(OC)CC(OC4C(OC)CC(OC5CC6C(C7C(CC=6)(O)C6(C(C(C(=O)C)CC6)(C)C(OC(C=C(C(C)C)C)=O)C7)O)(C)CC5)OC4C)OC3C)OC2C)C1