77594-51-5 (齐墩果酸3-O-β-D-吡喃半乳糖基-(1->2)-O-β-D-葡萄糖醛酸吡喃糖苷,oleanolic acid 3-O-beta-D-galactopyranosyl-(1->2)-O-beta-D-glucuronopyranoside)

CAS号:
77594-51-5
中文名称:
齐墩果酸3-O-β-D-吡喃半乳糖基-(1->2)-O-β-D-葡萄糖醛酸吡喃糖苷
英文名称:
oleanolic acid 3-O-beta-D-galactopyranosyl-(1->2)-O-beta-D-glucuronopyranoside
分子式:
C42H66O14
分子量:
794.965054988861

齐墩果酸3-O-β-D-吡喃半乳糖基-(1->2)-O-β-D-葡萄糖醛酸吡喃糖苷(77594-51-5)名称与标识符

名称

英文别名:
oleanolic acid 3-O-beta-D-galactopyranosyl-(1->2)-O-beta-D-glucuronopyranoside;

标识符

InChIKey:
WJQOMUVKRDJBGZ-UHFFFAOYSA-N
Inchi:
1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-32(29(47)28(46)31(55-35)33(49)50)56-34-30(48)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)
SMILES:
CC1(CC2C(C(=O)O)(CCC3(C4(C(C5(C(CC4)C(C)(C)C(OC4C(OC6C(O)C(O)C(O)C(CO)O6)C(O)C(O)C(C(=O)O)O4)CC5)C)CC=C32)C)C)CC1)C