| SpectraBase Compound ID | 1qXjtRMgEwv |
|---|---|
| InChI | InChI=1S/C42H65NO10/c1-22-34(53-37-17-16-33(43(4)5)23(2)49-37)10-9-11-35(25-12-13-25)52-36(44)21-31-28-15-14-26-18-27(19-29(26)30(28)20-32(31)38(22)45)51-42-41(48-8)40(47-7)39(46-6)24(3)50-42/h14-15,20,22-31,33-35,37,39-42H,9-13,16-19,21H2,1-8H3/t22-,23+,24+,26+,27+,28+,29+,30+,31-,33-,34-,35+,37-,39+,40-,41-,42+/m0/s1 |
| InChIKey | RMRSVUPOTNTPJQ-HDQTUQNESA-N |
| Mol Weight | 744.0 g/mol |
| Molecular Formula | C42H65NO10 |
| Exact Mass | 743.460847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BGmbahICE0J |
|---|---|
| Name | 21-DESETHYL-21-(CYCLOPROPYL)-SPINOSYN_A |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H65NO10 |
| InChI | InChI=1S/C42H65NO10/c1-22-34(53-37-17-16-33(43(4)5)23(2)49-37)10-9-11-35(25-12-13-25)52-36(44)21-31-28-15-14-26-18-27(19-29(26)30(28)20-32(31)38(22)45)51-42-41(48-8)40(47-7)39(46-6)24(3)50-42/h14-15,20,22-31,33-35,37,39-42H,9-13,16-19,21H2,1-8H3/t22-,23+,24+,26+,27+,28+,29+,30+,31-,33-,34-,35+,37-,39+,40-,41-,42+/m0/s1 |
| InChIKey | RMRSVUPOTNTPJQ-HDQTUQNESA-N |
| Literature Reference Author | L.S.SHEEHAN,R.E.LILL,B.WILKINSON,R.M.SHERIDAN,W.A.VOUSDEN,A. L.KAJA,G.D.CROUSE,J. |
| Literature Reference Citation | J.NAT.PROD.,69,1702(2006) |
| Literature Reference DOI | 10.1021/np0602517 |
| Molecular Weight | 743.979 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17584 |