| SpectraBase Compound ID | 25kQcNGWQaN |
|---|---|
| InChI | InChI=1S/C33H54O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)13-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)12-25(35)32(18,4)21(20)8-9-31(22,26)3/h16-30,34-38H,5-15H2,1-4H3/t16-,17+,18+,19+,20?,21?,22?,23?,24-,25-,26?,27-,28+,29-,30-,31+,32+,33-/m1/s1 |
| InChIKey | FAQQQQPJMKUJRW-PBURXQCQSA-N |
| Mol Weight | 594.8 g/mol |
| Molecular Formula | C33H54O9 |
| Exact Mass | 594.376783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3l34uwfeWEa |
|---|---|
| Name | (25S)-5-ALPHA-SPIROSTANE-1-BETA,3-ALPHA-DIOL-3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H54O9 |
| InChI | InChI=1S/C33H54O9/c1-16-7-10-33(39-15-16)17(2)26-23(42-33)13-22-20-6-5-18-11-19(40-30-29(38)28(37)27(36)24(14-34)41-30)12-25(35)32(18,4)21(20)8-9-31(22,26)3/h16-30,34-38H,5-15H2,1-4H3/t16-,17+,18+,19+,20?,21?,22?,23?,24-,25-,26?,27-,28+,29-,30-,31+,32+,33-/m1/s1 |
| InChIKey | FAQQQQPJMKUJRW-PBURXQCQSA-N |
| Literature Reference Author | Y.MIMAKI,Y.TAKAASHI,M.KURODA,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,45,1229(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00109-X |
| Molecular Weight | 594.786 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP511 |