| SpectraBase Compound ID | JM774ctyuiO |
|---|---|
| InChI | InChI=1S/C45H74O18/c1-18(17-57-41-38(55)36(53)33(50)29(15-46)61-41)6-9-26-19(2)31-28(59-26)13-24-22-8-7-21-12-27(25(48)14-45(21,5)23(22)10-11-44(24,31)4)60-43-40(37(54)34(51)30(16-47)62-43)63-42-39(56)35(52)32(49)20(3)58-42/h18,20-25,27-43,46-56H,6-17H2,1-5H3/t18-,20+,21-,22+,23-,24-,25+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40-,41+,42+,43-,44?,45?/m0/s1 |
| InChIKey | TUOFCGLGPSOPQN-QKJRZZIISA-N |
| Mol Weight | 903.1 g/mol |
| Molecular Formula | C45H74O18 |
| Exact Mass | 902.487516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3MmHyKA1V2Y |
|---|---|
| Name | #72;TUBEROSIDE-A;26-O-BETA-D-GLUCOPYRANOSYL-2-ALPHA,3-BETA,26-TRIHYDROXY-(25S)-5-ALPHA-FUROST-20(22)-ENE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O18 |
| InChI | InChI=1S/C45H74O18/c1-18(17-57-41-38(55)36(53)33(50)29(15-46)61-41)6-9-26-19(2)31-28(59-26)13-24-22-8-7-21-12-27(25(48)14-45(21,5)23(22)10-11-44(24,31)4)60-43-40(37(54)34(51)30(16-47)62-43)63-42-39(56)35(52)32(49)20(3)58-42/h18,20-25,27-43,46-56H,6-17H2,1-5H3/t18-,20+,21-,22+,23-,24-,25+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40-,41+,42+,43-,44?,45?/m0/s1 |
| InChIKey | TUOFCGLGPSOPQN-QKJRZZIISA-N |
| Literature Reference Author | P.K.AGRAWAL |
| Literature Reference Citation | STEROIDS,70,715(2005) |
| Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
| Molecular Weight | 903.072 g/mol |
| Sample ID | 968817 |
| Solvent | C5D5N |