| SpectraBase Compound ID | FYGHGi0cIVp |
|---|---|
| InChI | InChI=1S/C33H54O12/c1-14-5-10-33(42-13-14)15(2)21-19(44-33)11-18-16-6-9-32(45-29-26(39)23(36)22(35)20(12-34)43-29)28(41)25(38)24(37)27(40)31(32,4)17(16)7-8-30(18,21)3/h14-29,34-41H,5-13H2,1-4H3/t14?,15?,16?,17?,18?,19?,20?,21?,22-,23+,24?,25?,26?,27?,28?,29+,30?,31?,32?,33?/m0/s1 |
| InChIKey | ZMWPXOWHGCULAK-XCWBBHQYSA-N |
| Mol Weight | 642.8 g/mol |
| Molecular Formula | C33H54O12 |
| Exact Mass | 642.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vJslm0G2Tl |
|---|---|
| Name | Neopentologenin-5-O.beta.-D-glucopyranosid |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H54O12 |
| InChI | InChI=1S/C33H54O12/c1-14-5-10-33(42-13-14)15(2)21-19(44-33)11-18-16-6-9-32(45-29-26(39)23(36)22(35)20(12-34)43-29)28(41)25(38)24(37)27(40)31(32,4)17(16)7-8-30(18,21)3/h14-29,34-41H,5-13H2,1-4H3/t14?,15?,16?,17?,18?,19?,20?,21?,22-,23+,24?,25?,26?,27?,28?,29+,30?,31?,32?,33?/m0/s1 |
| InChIKey | ZMWPXOWHGCULAK-XCWBBHQYSA-N |
| Literature Reference | Chem. Pharm. Bull. 32, 1451 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |