| SpectraBase Compound ID | 2jIqeE6Knav |
|---|---|
| InChI | InChI=1S/C51H84O22/c1-19(18-65-46-40(61)39(60)36(57)31(16-52)70-46)7-10-28-20(2)33-30(68-28)14-26-24-9-8-23-13-29(27(54)15-51(23,6)25(24)11-12-50(26,33)5)69-49-45(73-48-42(63)38(59)35(56)22(4)67-48)43(64)44(32(17-53)71-49)72-47-41(62)37(58)34(55)21(3)66-47/h19,21-27,29-49,52-64H,7-18H2,1-6H3/t19?,21-,22-,23+,24?,25?,26?,27-,29-,30?,31-,32+,33?,34-,35-,36-,37+,38+,39+,40-,41+,42+,43-,44+,45+,46-,47-,48-,49+,50+,51+/m1/s1 |
| InChIKey | ZGGKEHAJPIMSQR-UKRPFYTLSA-N |
| Mol Weight | 1049.2 g/mol |
| Molecular Formula | C51H84O22 |
| Exact Mass | 1048.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ik3yXwINu9B |
|---|---|
| Name | TUBEROSIDE-B;26-O-BETA-D-GLUCOPYRANOSYL-(25S)-5-ALPHA-FUROST-20(22)-ENE-2-ALPHA,3-BETA,26-TRIOL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOP |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O22 |
| InChI | InChI=1S/C51H84O22/c1-19(18-65-46-40(61)39(60)36(57)31(16-52)70-46)7-10-28-20(2)33-30(68-28)14-26-24-9-8-23-13-29(27(54)15-51(23,6)25(24)11-12-50(26,33)5)69-49-45(73-48-42(63)38(59)35(56)22(4)67-48)43(64)44(32(17-53)71-49)72-47-41(62)37(58)34(55)21(3)66-47/h19,21-27,29-49,52-64H,7-18H2,1-6H3/t19?,21-,22-,23+,24?,25?,26?,27-,29-,30?,31-,32+,33?,34-,35-,36-,37+,38+,39+,40-,41+,42+,43-,44+,45+,46-,47-,48-,49+,50+,51+/m1/s1 |
| InChIKey | ZGGKEHAJPIMSQR-UKRPFYTLSA-N |
| Literature Reference Author | S.SANG,A.LAO,H.WANG,Z.CHEN |
| Literature Reference Citation | PHYTOCHEM.,52,1611(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00312-X |
| Molecular Weight | 1049.215 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN279 |