| SpectraBase Compound ID | GeodL24yh6t |
|---|---|
| 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-/m0/s1 |
| InChIKey | GAZDXIGXYWVWQX-XQQGTBTBSA-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 | 5gtiBarFHqa |
|---|---|
| Name | CRASSICAULINE-A |
| 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-/m0/s1 |
| InChIKey | GAZDXIGXYWVWQX-XQQGTBTBSA-N |
| Literature Reference Author | F.P.WANG,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,50,55(1987) |
| Literature Reference DOI | 10.1021/np50049a009 |
| Molecular Weight | 643.775 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17493 |