| SpectraBase Compound ID | 6WCcbwbK7H8 |
|---|---|
| InChI | InChI=1S/C33H48O18/c1-10-4-5-13-11(2)30(44)49-27(13)19-12(3)15(6-14(10)19)45-33-26(43)29(21(38)17(8-35)47-33)51-32-25(42)23(40)28(18(9-36)48-32)50-31-24(41)22(39)20(37)16(7-34)46-31/h13-29,31-43H,1-9H2/t13-,14?,15-,16-,17+,18-,19?,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,31+,32+,33+/m0/s1 |
| InChIKey | IEEDWCZOYQCGCK-PTLKZFRSSA-N |
| Mol Weight | 732.7 g/mol |
| Molecular Formula | C33H48O18 |
| Exact Mass | 732.284065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uqiof5ihJY |
|---|---|
| Name | MACROCLINISIDE I |
| Compound Number | 431 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C33H48O18/c1-10-4-5-13-11(2)30(44)49-27(13)19-12(3)15(6-14(10)19)45-33-26(43)29(21(38)17(8-35)47-33)51-32-25(42)23(40)28(18(9-36)48-32)50-31-24(41)22(39)20(37)16(7-34)46-31/h13-29,31-43H,1-9H2/t13-,14?,15-,16-,17+,18-,19?,20-,21+,22-,23-,24+,25-,26+,27-,28-,29-,31+,32+,33+/m0/s1 |
| InChIKey | IEEDWCZOYQCGCK-PTLKZFRSSA-N |
| Literature Reference | A.UR-RAHMAN,V.U.AHMAD NAT.PROD.VOL.1 |
| Solvent | Pyridine-d5 |