| SpectraBase Compound ID | 9Y2bSVXxqgv |
|---|---|
| InChI | InChI=1S/C45H72O19/c1-18(17-58-41-37(55)34(52)32(50)27(14-46)61-41)5-8-25-19(2)31-26(60-25)12-24-22-7-6-20-11-21(9-10-44(20,3)23(22)13-30(49)45(24,31)4)59-42-39(57)36(54)40(29(16-48)63-42)64-43-38(56)35(53)33(51)28(15-47)62-43/h18,20-24,26-29,31-43,46-48,50-57H,5-17H2,1-4H3/t18-,20+,21+,22-,23+,24+,26+,27-,28+,29-,31+,32-,33+,34+,35-,36-,37-,38+,39-,40+,41-,42-,43-,44?,45?/m1/s1 |
| InChIKey | NCKIAKFOKAYVOE-SINNJRMOSA-N |
| Mol Weight | 917.1 g/mol |
| Molecular Formula | C45H72O19 |
| Exact Mass | 916.46678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9mcKk36dYr |
|---|---|
| Name | #68;26-O-BETA-D-GLUCOPYRANOSYL-3-BETA,26-DIHYDROXY-(25R)-5-ALPHA-FUROSTAN-20(22)-EN-12-ONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O19 |
| InChI | InChI=1S/C45H72O19/c1-18(17-58-41-37(55)34(52)32(50)27(14-46)61-41)5-8-25-19(2)31-26(60-25)12-24-22-7-6-20-11-21(9-10-44(20,3)23(22)13-30(49)45(24,31)4)59-42-39(57)36(54)40(29(16-48)63-42)64-43-38(56)35(53)33(51)28(15-47)62-43/h18,20-24,26-29,31-43,46-48,50-57H,5-17H2,1-4H3/t18-,20+,21+,22-,23+,24+,26+,27-,28+,29-,31+,32-,33+,34+,35-,36-,37-,38+,39-,40+,41-,42-,43-,44?,45?/m1/s1 |
| InChIKey | NCKIAKFOKAYVOE-SINNJRMOSA-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 | 917.055 g/mol |
| Sample ID | 968813 |
| Solvent | C5D5N |