167899-49-2 (Betavulgaroside III 1'''-methyl ester,Betavulgaroside III 1'''-methyl ester)

CAS号:
167899-49-2
中文名称:
Betavulgaroside III 1'''-methyl ester
英文名称:
Betavulgaroside III 1'''-methyl ester
分子式:
C48H74O20
分子量:
971.08917760849

Betavulgaroside III 1'''-methyl ester(167899-49-2)名称与标识符

标识符

InChIKey:
VVXOIZNXKXSBNI-LRZHDZRSSA-N
Inchi:
1S/C48H74O20/c1-43(2)15-17-48(42(61)68-40-31(53)30(52)29(51)24(20-49)64-40)18-16-46(6)22(23(48)19-43)9-10-26-45(5)13-12-27(44(3,4)25(45)11-14-47(26,46)7)65-41-33(55)35(32(54)36(67-41)38(59)60)66-39(34(56)37(57)58)63-21-28(50)62-8/h9,23-27,29-36,39-41,49,51-56H,10-21H2,1-8H3,(H,57,58)(H,59,60)/t23-,24+,25-,26+,27-,29+,30-,31+,32-,33+,34?,35-,36-,39?,40-,41+,45-,46+,47+,48-/m0/s1
SMILES:
[H][C@]12C3=CC[C@]4([C@](C)([C@]3(C)CC[C@@]1(C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)=O)CCC(C)(C)C2)CC[C@]1([H])[C@@]4(CC[C@@H](C1(C)C)O[C@H]1[C@H](O)[C@@H](OC(C(C(=O)O)O)OCC(OC)=O)[C@H](O)[C@@H](C(=O)O)O1)C)[H]