| SpectraBase Compound ID | 8sm3TnTcmBN |
|---|---|
| InChI | InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3/t18-,19+,20-,21+,22-,23+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43?,44?,45?/m1/s1 |
| InChIKey | WROHFEWGWYQNPP-GQECGIMPSA-N |
| Mol Weight | 921.1 g/mol |
| Molecular Formula | C45H76O19 |
| Exact Mass | 920.49808 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 | 8nS37KU3EKQ |
|---|---|
| Name | #7;TRIGONEOSIDE-XB;26-O-BETA-D-GLUCOPYRANOSYL-2-ALPHA,3-BETA,22-XI,26-TETRAHYDROXY-(25R)-5-ALPHA-FUROSTANE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H76O19 |
| InChI | InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3/t18-,19+,20-,21+,22-,23+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43?,44?,45?/m1/s1 |
| InChIKey | WROHFEWGWYQNPP-GQECGIMPSA-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 | 921.087 g/mol |
| Sample ID | 968752 |
| Solvent | C5D5N |