| SpectraBase Compound ID | Dqk4OcSwCFu |
|---|---|
| InChI | InChI=1S/C45H70O18/c1-19(18-58-41-38(56)36(54)33(51)29(16-46)61-41)6-9-27(48)20(2)31-28(49)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)60-43-40(37(55)34(52)30(17-47)62-43)63-42-39(57)35(53)32(50)21(3)59-42/h7,19,21,23-26,29-30,32-43,46-47,50-57H,6,8-18H2,1-5H3/b31-20+/t19?,21-,23-,24+,25-,26-,29+,30+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-/m0/s1 |
| InChIKey | BMZJWILIQLATMQ-DDHQRBIJSA-N |
| Mol Weight | 899.0 g/mol |
| Molecular Formula | C45H70O18 |
| Exact Mass | 898.456215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68q9zAotViV |
|---|---|
| Name | 26-O-BETA-D-GLUCOPYRANOSYL-17(20)-DEHYDRO-KRYPTOGENIN-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O18 |
| InChI | InChI=1S/C45H70O18/c1-19(18-58-41-38(56)36(54)33(51)29(16-46)61-41)6-9-27(48)20(2)31-28(49)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)60-43-40(37(55)34(52)30(17-47)62-43)63-42-39(57)35(53)32(50)21(3)59-42/h7,19,21,23-26,29-30,32-43,46-47,50-57H,6,8-18H2,1-5H3/b31-20+/t19?,21-,23-,24+,25-,26-,29+,30+,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-/m0/s1 |
| InChIKey | BMZJWILIQLATMQ-DDHQRBIJSA-N |
| Literature Reference Author | M.ONO,C.TAKAMURA,F.SUGITA,C.MASUOKA,H.YOSHIMITSU,T.IKEDA,T.N OHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,551(2007) |
| Literature Reference DOI | 10.1248/cpb.55.551 |
| Molecular Weight | 899.040 g/mol |
| Sample ID | 55528 |
| Solvent | C5D5N |