2270962-45-1 ((3β,20β)-20-羧基-11-氧代-30-去甲油酸-12-烯-3-基 2-O-β-D-吡喃葡萄糖醛酸-β-D-吡喃葡萄糖醛酸酯-6-乙酯,(3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-β-D-Glucopyranosiduronic acid-6-ethyl ester)

CAS号:
2270962-45-1
中文名称:
(3β,20β)-20-羧基-11-氧代-30-去甲油酸-12-烯-3-基 2-O-β-D-吡喃葡萄糖醛酸-β-D-吡喃葡萄糖醛酸酯-6-乙酯
英文名称:
(3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-β-D-Glucopyranosiduronic acid-6-ethyl ester
分子式:
C44H66O16
分子量:
850.985255718231

(3β,20β)-20-羧基-11-氧代-30-去甲油酸-12-烯-3-基 2-O-β-D-吡喃葡萄糖醛酸-β-D-吡喃葡萄糖醛酸酯-6-乙酯(2270962-45-1)名称与标识符

标识符

InChIKey:
ITNVZIRCOWFPFN-WGRDPETLSA-N
Inchi:
1S/C44H66O16/c1-9-56-35(53)31-27(48)28(49)32(60-36-29(50)25(46)26(47)30(58-36)34(51)52)37(59-31)57-24-11-12-42(6)23(39(24,2)3)10-13-44(8)33(42)22(45)18-20-21-19-41(5,38(54)55)15-14-40(21,4)16-17-43(20,44)7/h18,21,23-33,36-37,46-50H,9-17,19H2,1-8H3,(H,51,52)(H,54,55)/t21-,23-,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,36-,37+,40+,41-,42-,43+,44+/m0/s1
SMILES:
C[C@@]12CC[C@@]3([H])C([C@H](CC[C@@]3([C@@]1([H])C(C=C1[C@]3([H])C[C@@](CC[C@@]3(CC[C@@]21C)C)(C)C(=O)O)=O)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O)C(=O)OCC)(C)C