| SpectraBase Compound ID | 3k2qmBuyXSY |
|---|---|
| InChI | InChI=1S/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3/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+/m0/s1 |
| InChIKey | CGORMVKERVDQKF-RRGBQUCQSA-N |
| Mol Weight | 919.1 g/mol |
| Molecular Formula | C45H74O19 |
| Exact Mass | 918.48243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNSIQ1W0x9u |
|---|---|
| Name | (25R)-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA-DIOL-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 2R |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O19 |
| InChI | InChI=1S/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3/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+/m0/s1 |
| InChIKey | CGORMVKERVDQKF-RRGBQUCQSA-N |
| Literature Reference Author | Y.MIMAKI,A.KAMEYAMA,M.KURODA,Y.SASHIDA,T.HIRANO,K.OKA,K.KOIK E,T.NIKAIDO |
| Literature Reference Citation | PHYTOCHEM.,44,305(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00548-1 |
| Molecular Weight | 919.071 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA76 |