| SpectraBase Compound ID | KktFPG418B |
|---|---|
| InChI | InChI=1S/C35H51NO9/c1-8-36-18-32(19-39-3)15-14-23(41-5)35-22-16-33(38)24(42-6)17-34(44-9-2,26(29(35)36)27(43-7)28(32)35)25(22)30(33)45-31(37)20-10-12-21(40-4)13-11-20/h10-13,22-30,38H,8-9,14-19H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,32-,33+,34-,35+/m1/s1 |
| InChIKey | AXNQMSNNMRVXNS-DNULCNFLSA-N |
| Mol Weight | 629.8 g/mol |
| Molecular Formula | C35H51NO9 |
| Exact Mass | 629.356382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cp0ouowxAPM |
|---|---|
| Name | 8-O-DEACETYL-8-O-ETHYL-CRASSICAULINE-A |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H51NO9 |
| InChI | InChI=1S/C35H51NO9/c1-8-36-18-32(19-39-3)15-14-23(41-5)35-22-16-33(38)24(42-6)17-34(44-9-2,26(29(35)36)27(43-7)28(32)35)25(22)30(33)45-31(37)20-10-12-21(40-4)13-11-20/h10-13,22-30,38H,8-9,14-19H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,32-,33+,34-,35+/m1/s1 |
| InChIKey | AXNQMSNNMRVXNS-DNULCNFLSA-N |
| Literature Reference Author | J.L.WANG,X.L.SHEN,Q.H.CHEN,G.QI,W.WANG,G.QI,W.WANG,F.P.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,801(2009) |
| Literature Reference DOI | 10.1248/cpb.57.801 |
| Molecular Weight | 629.791 g/mol |
| Sample ID | 2816 |
| Solvent | CDCl3 |