SpectraBase Compound ID | 8xUTu3SDv53 |
---|---|
InChI | InChI=1S/C42H66O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20?,21-,22+,23?,24?,25+,26-,27-,28-,29+,30+,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
InChIKey | YQDXYGOKFNYKCJ-FIXUWSFMSA-N |
Mol Weight | 827.0 g/mol |
Molecular Formula | C42H66O16 |
Exact Mass | 826.435086 g/mol |
SpectraBase Spectrum ID | 6AJG0gmhs3n |
---|---|
Name | 28-O-BETA-D-GLUCOPYRANOSYL-BAYOGENIN-3-O-BETA-D-GLUCURONOPYRANOSIDE |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C42H66O16 |
InChI | InChI=1S/C42H66O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20?,21-,22+,23?,24?,25+,26-,27-,28-,29+,30+,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1 |
InChIKey | YQDXYGOKFNYKCJ-FIXUWSFMSA-N |
Literature Reference Author | F.ABE,T.YAMAUCHI,H.SHIBUYA,I.KITAGAWA |
Literature Reference Citation | PHYTOCHEM.,42,809(1996) |
Literature Reference DOI | 10.1016/0031-9422(96)00003-9 |
Molecular Weight | 826.976 g/mol |
Solvent | C5D5N |
Source File Reference | UWLU3691 |