| SpectraBase Compound ID | 18xY42A3n68 |
|---|---|
| InChI | InChI=1S/C63H98O30/c1-25-46-47(89-51-43(77)38(72)29(67)21-82-51)45(79)53(85-25)91-48-39(73)30(68)22-83-54(48)93-56(80)63-14-13-57(2,3)15-27(63)26-9-10-34-59(5)16-28(66)50(60(6,24-65)33(59)11-12-61(34,7)62(26,8)17-35(63)69)92-55-49(42(76)40(74)31(20-64)87-55)90-52-44(78)41(75)32(23-84-52)86-36(70)18-58(4,81)19-37(71)88-46/h9,25,27-35,38-55,64-69,72-79,81H,10-24H2,1-8H3/t25-,27?,28-,29-,30+,31+,32-,33?,34?,35+,38+,39+,40+,41-,42-,43-,44+,45+,46-,47-,48-,49+,50-,51+,52-,53-,54+,55-,58-,59-,60-,61+,62+,63+/m0/s1 |
| InChIKey | GBWAAJJGXQJTTA-FQUNFENCSA-N |
| Mol Weight | 1335.4 g/mol |
| Molecular Formula | C63H98O30 |
| Exact Mass | 1334.614292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91FnWm2rxVO |
|---|---|
| Name | TUBEIMOSIDE-II |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H98O30 |
| InChI | InChI=1S/C63H98O30/c1-25-46-47(89-51-43(77)38(72)29(67)21-82-51)45(79)53(85-25)91-48-39(73)30(68)22-83-54(48)93-56(80)63-14-13-57(2,3)15-27(63)26-9-10-34-59(5)16-28(66)50(60(6,24-65)33(59)11-12-61(34,7)62(26,8)17-35(63)69)92-55-49(42(76)40(74)31(20-64)87-55)90-52-44(78)41(75)32(23-84-52)86-36(70)18-58(4,81)19-37(71)88-46/h9,25,27-35,38-55,64-69,72-79,81H,10-24H2,1-8H3/t25-,27?,28-,29-,30+,31+,32-,33?,34?,35+,38+,39+,40+,41-,42-,43-,44+,45+,46-,47-,48-,49+,50-,51+,52-,53-,54+,55-,58-,59-,60-,61+,62+,63+/m0/s1 |
| InChIKey | GBWAAJJGXQJTTA-FQUNFENCSA-N |
| Literature Reference Author | R.KASAI,M.MIYAKOSHI,R.L.NIE,J.ZHOU,K.MATSUMOTO,T.MORITA,M.NI SHI,K.MIYAHARA,O.TAN |
| Literature Reference Citation | PHYTOCHEM.,27,1439(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80212-7 |
| Molecular Weight | 1335.453 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK560 |