SpectraBase Compound ID | EJSlTvuPPxa |
---|---|
InChI | InChI=1S/C54H88O24/c1-22-31(59)35(63)40(68)45(72-22)76-42-38(66)34(62)28(20-71-44-39(67)36(64)32(60)26(18-55)73-44)75-47(42)78-48(70)54-14-12-49(2,3)16-24(54)23-8-9-30-50(4)17-25(58)43(77-46-41(69)37(65)33(61)27(19-56)74-46)51(5,21-57)29(50)10-11-53(30,7)52(23,6)13-15-54/h8,22,24-47,55-69H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1 |
InChIKey | YIPIMPSVOUCQBF-SHSLMZEUSA-N |
Mol Weight | 1121.3 g/mol |
Molecular Formula | C54H88O24 |
Exact Mass | 1120.566554 g/mol |
SpectraBase Spectrum ID | 9d5AdOuPZjk |
---|---|
Name | ASTERBATANOSIDE-G;#2;3-O-BETA-D-GLUCOPYRANOSYL-BAYOGENIN-28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C54H88O24 |
InChI | InChI=1S/C54H88O24/c1-22-31(59)35(63)40(68)45(72-22)76-42-38(66)34(62)28(20-71-44-39(67)36(64)32(60)26(18-55)73-44)75-47(42)78-48(70)54-14-12-49(2,3)16-24(54)23-8-9-30-50(4)17-25(58)43(77-46-41(69)37(65)33(61)27(19-56)74-46)51(5,21-57)29(50)10-11-53(30,7)52(23,6)13-15-54/h8,22,24-47,55-69H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,47-,50-,51-,52+,53+,54-/m0/s1 |
InChIKey | YIPIMPSVOUCQBF-SHSLMZEUSA-N |
Literature Reference Author | Y.SHAO,B.N.ZHOU,L.Z.LIN,G.A.CORDELL |
Literature Reference Citation | PHYTOCHEM.,38,927(1995) |
Literature Reference DOI | 10.1016/0031-9422(94)00744-E |
Molecular Weight | 1121.278 g/mol |
Solvent | C5D5N |
Source File Reference | UWMS3792 |