| SpectraBase Compound ID | 9KpJtrIfj15 |
|---|---|
| InChI | InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26?,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1 |
| InChIKey | GAZDXIGXYWVWQX-UQFGUHEISA-N |
| Mol Weight | 643.8 g/mol |
| Molecular Formula | C35H49NO10 |
| Exact Mass | 643.335647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6V4TGOMyKBU |
|---|---|
| Name | CRASSICAULINE-A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49NO10 |
| InChI | InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26?,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1 |
| InChIKey | GAZDXIGXYWVWQX-UQFGUHEISA-N |
| Literature Reference Author | J.H.YANG,Z.Y.LI,L.LI,Y.S.WANG |
| Literature Reference Citation | PHYTOCHEM.,50,345(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00387-2 |
| Molecular Weight | 643.775 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN11235 |