| SpectraBase Compound ID | L3bxUYKjk4k |
|---|---|
| InChI | InChI=1S/C37H48O21/c1-15-29(51-18(4)40)31(53-20(6)42)33(55-22(8)44)36(49-15)48-13-24-12-47-35(25-10-11-26(28(24)25)50-17(3)39)58-37-34(56-23(9)45)32(54-21(7)43)30(52-19(5)41)27(57-37)14-46-16(2)38/h10-12,15,25-37H,13-14H2,1-9H3/t15-,25?,26?,27-,28?,29-,30-,31+,32+,33-,34-,35?,36?,37?/m0/s1 |
| InChIKey | MXRMQGUVWZWMMH-XZLQRFHRSA-N |
| Mol Weight | 828.8 g/mol |
| Molecular Formula | C37H48O21 |
| Exact Mass | 828.268809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zJF1064iTn |
|---|---|
| Name | Peracetyl-quinovosyl-decaloside |
| CAS Registry Number | 78808-81-8 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C37H48O21 |
| InChI | InChI=1S/C37H48O21/c1-15-29(51-18(4)40)31(53-20(6)42)33(55-22(8)44)36(49-15)48-13-24-12-47-35(25-10-11-26(28(24)25)50-17(3)39)58-37-34(56-23(9)45)32(54-21(7)43)30(52-19(5)41)27(57-37)14-46-16(2)38/h10-12,15,25-37H,13-14H2,1-9H3/t15-,25?,26?,27-,28?,29-,30-,31+,32+,33-,34-,35?,36?,37?/m0/s1 |
| InChIKey | MXRMQGUVWZWMMH-XZLQRFHRSA-N |
| Literature Reference | S. Jensen, C. Mikkelsen, Phytochem. 20, 71 (1980). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |