646063-89-0 (3,8,12,14,17-五羟基孕烷-5-烯-20-酮;(3β,12β,14β,17βOH)-,12-苯甲酰基,3-O-[β-D-吡喃酮基-(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],3,8,12,14,17-Pentahydroxypregn-5-en-20-one; (3β,12β,14β,17βOH)-form, 12-Benzoyl, 3-O-[β-D-thevetopyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranosyl-(1→4)-β-D-cymaropyranoside])

CAS号:
646063-89-0
中文名称:
3,8,12,14,17-五羟基孕烷-5-烯-20-酮;(3β,12β,14β,17βOH)-,12-苯甲酰基,3-O-[β-D-吡喃酮基-(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:
3,8,12,14,17-Pentahydroxypregn-5-en-20-one; (3β,12β,14β,17βOH)-form, 12-Benzoyl, 3-O-[β-D-thevetopyranosyl-(1→4)-β-D-oleandropyranosyl-(1→4)-β-D-cymaropyranosyl-(1→4)-β-D-cymaropyranoside]
分子式:
C56H84O20
分子量:
1077.25417995453

3,8,12,14,17-五羟基孕烷-5-烯-20-酮;(3β,12β,14β,17βOH)-,12-苯甲酰基,3-O-[β-D-吡喃酮基-(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](646063-89-0)名称与标识符

标识符

InChIKey:
CTGMGSTZRJVWLC-UHFFFAOYSA-N
Inchi:
1S/C56H84O20/c1-28-44(58)49(67-11)45(59)51(71-28)76-48-31(4)70-43(26-38(48)66-10)75-47-30(3)69-42(25-37(47)65-9)74-46-29(2)68-41(24-36(46)64-8)72-35-18-19-52(6)34(23-35)17-20-55(62)39(52)27-40(73-50(60)33-15-13-12-14-16-33)53(7)54(61,32(5)57)21-22-56(53,55)63/h12-17,28-31,35-49,51,58-59,61-63H,18-27H2,1-11H3
SMILES:
COC1C(OC2OC(C)C(OC3OC(C)C(OC4C(O)C(OC)C(O)C(C)O4)C(OC)C3)C(OC)C2)C(C)OC(OC2CC3C(C4C(CC=3)(O)C3(C(C(C(=O)C)(CC3)O)(C)C(OC(C3C=CC=CC=3)=O)C4)O)(C)CC2)C1