| SpectraBase Compound ID | 4g51vxjqOQ7 |
|---|---|
| InChI | InChI=1S/C40H51NO10/c1-7-41-21-37(22-45-2)18-17-27(47-4)40-26-19-38(44)28(48-5)20-39(30(33(40)41)31(49-6)32(37)40,51-36(43)23-11-9-8-10-12-23)29(26)34(38)50-35(42)24-13-15-25(46-3)16-14-24/h8-16,26-34,44H,7,17-22H2,1-6H3/t26-,27+,28+,29-,30+,31+,32-,33-,34-,37-,38+,39-,40+/m1/s1 |
| InChIKey | XXGMPCKOJZXYCP-TUDWIHBQSA-N |
| Mol Weight | 705.8 g/mol |
| Molecular Formula | C40H51NO10 |
| Exact Mass | 705.351297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElQ1FTy6RgV |
|---|---|
| Name | 8-DEACETOXY-8-O-BENZOYLOXY-CRASSICAULINE-A |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H51NO10 |
| InChI | InChI=1S/C40H51NO10/c1-7-41-21-37(22-45-2)18-17-27(47-4)40-26-19-38(44)28(48-5)20-39(30(33(40)41)31(49-6)32(37)40,51-36(43)23-11-9-8-10-12-23)29(26)34(38)50-35(42)24-13-15-25(46-3)16-14-24/h8-16,26-34,44H,7,17-22H2,1-6H3/t26-,27+,28+,29-,30+,31+,32-,33-,34-,37-,38+,39-,40+/m1/s1 |
| InChIKey | XXGMPCKOJZXYCP-TUDWIHBQSA-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 | 705.846 g/mol |
| Sample ID | 2819 |
| Solvent | CDCl3 |