| SpectraBase Compound ID | 6ztoxvHt6yQ |
|---|---|
| InChI | InChI=1S/C45H72O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h5,19-20,22-42,46-55H,6-18H2,1-4H3/t19-,20+,22-,23+,24-,25-,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41+,42+,43-,44-,45-/m0/s1 |
| InChIKey | IATOWVQMFQIWJG-VXUNVDDMSA-N |
| Mol Weight | 901.1 g/mol |
| Molecular Formula | C45H72O18 |
| Exact Mass | 900.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LvzvYmgPXlf |
|---|---|
| Name | NEOSIBIRICOSIDE_D;(25-R)-SPIROST-5-EN-3-BETA-OL_3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O18 |
| InChI | InChI=1S/C45H72O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h5,19-20,22-42,46-55H,6-18H2,1-4H3/t19-,20+,22-,23+,24-,25-,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41+,42+,43-,44-,45-/m0/s1 |
| InChIKey | IATOWVQMFQIWJG-VXUNVDDMSA-N |
| Literature Reference Author | M.J.AHN,C.Y.KIM,K.D.YOON,M.Y.RYU,J.H.CHEONG,Y.W.CHIN,J.KIM |
| Literature Reference Citation | J.NAT.PROD.,69,360(2006) |
| Literature Reference DOI | 10.1021/np050394d |
| Molecular Weight | 901.056 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18114 |