| SpectraBase Compound ID | 7AAY0FDCIws |
|---|---|
| InChI | InChI=1S/C58H94O24/c1-10-25(2)48(73)82-47-29(20-59)77-52(46(72)42(47)68)81-36-19-58(24-60)27(17-53(36,3)4)26-11-12-33-55(7)15-14-35(54(5,6)32(55)13-16-56(33,8)57(26,9)18-34(58)62)80-51-45(71)41(67)39(65)31(79-51)23-76-50-44(70)40(66)38(64)30(78-50)22-75-49-43(69)37(63)28(61)21-74-49/h10-11,27-47,49-52,59-72H,12-24H2,1-9H3/b25-10+/t27-,28+,29+,30+,31+,32?,33?,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,46+,47+,49-,50+,51-,52-,55-,56+,57+,58+/m0/s1 |
| InChIKey | YKKSPDBUAQWREB-ZHUZPXSFSA-N |
| Mol Weight | 1175.4 g/mol |
| Molecular Formula | C58H94O24 |
| Exact Mass | 1174.613504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jrult6j1Fzq |
|---|---|
| Name | SITAKISOSIDE_XI;3-O-BETA-D-XYLOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDO-21-O-4-TIGLOYL-BETA-D-GLUCOPYRANOSYL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94O24 |
| InChI | InChI=1S/C58H94O24/c1-10-25(2)48(73)82-47-29(20-59)77-52(46(72)42(47)68)81-36-19-58(24-60)27(17-53(36,3)4)26-11-12-33-55(7)15-14-35(54(5,6)32(55)13-16-56(33,8)57(26,9)18-34(58)62)80-51-45(71)41(67)39(65)31(79-51)23-76-50-44(70)40(66)38(64)30(78-50)22-75-49-43(69)37(63)28(61)21-74-49/h10-11,27-47,49-52,59-72H,12-24H2,1-9H3/b25-10+/t27-,28+,29+,30+,31+,32?,33?,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,46+,47+,49-,50+,51-,52-,55-,56+,57+,58+/m0/s1 |
| InChIKey | YKKSPDBUAQWREB-ZHUZPXSFSA-N |
| Literature Reference Author | K.YOSHIKAWA,A.MIZUTANI,Y.KAN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,62(1997) |
| Literature Reference DOI | 10.1248/cpb.45.62 |
| Molecular Weight | 1175.370 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ22121 |