| SpectraBase Compound ID | 3Gi2QtpWlE7 |
|---|---|
| InChI | InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(57-24(5)47)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)29-33(60-38(51)27-14-11-10-12-15-27)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20?,21?,29-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1 |
| InChIKey | DPTIBNOQWFLHCG-PDVUZMAKSA-N |
| Mol Weight | 867.9 g/mol |
| Molecular Formula | C43H49NO18 |
| Exact Mass | 867.294964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1dA1RQMI18K |
|---|---|
| Name | CANGORININE-E-I |
| Compound Number | 3 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(57-24(5)47)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(56-23(4)46)29-33(60-38(51)27-14-11-10-12-15-27)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20?,21?,29-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1 |
| InChIKey | DPTIBNOQWFLHCG-PDVUZMAKSA-N |
| Literature Reference | O.SHIROTA,H.MORITA,K.TAKEYA,H.ITOKAWA HETEROCYCLES,38,383(1994) |
| Solvent | Chloroform-d |
| Technique | SELECTIVE DECOUPLING; C/H SHIFT CORRELATION |