| SpectraBase Compound ID | LoTP6R8zqAP |
|---|---|
| InChI | InChI=1S/C43H70O11/c1-15-18-34-29(7)37(50-13)24-43(51-14,54-34)31(9)39(46)30(8)41-35(48-11)20-17-19-25(3)21-28(6)40(52-32(10)44)33(16-2)38(45)27(5)22-26(4)23-36(49-12)42(47)53-41/h15,17-20,22-23,27-31,33-35,37-41,45-46H,16,21,24H2,1-14H3/b18-15+,20-17-,25-19-,26-22-,36-23+/t27-,28-,29-,30+,31+,33-,34-,35+,37-,38-,39-,40-,41-,43-/m1/s1 |
| InChIKey | CGIATPDMRZSAFJ-GYCYSNEMSA-N |
| Mol Weight | 763.0 g/mol |
| Molecular Formula | C43H70O11 |
| Exact Mass | 762.491813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K1r0wjxk2H7 |
|---|---|
| Name | 9-O-ACETYL-21,23-DI-O-METHYL-CONCANOLIDE-A |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H70O11 |
| InChI | InChI=1S/C43H70O11/c1-15-18-34-29(7)37(50-13)24-43(51-14,54-34)31(9)39(46)30(8)41-35(48-11)20-17-19-25(3)21-28(6)40(52-32(10)44)33(16-2)38(45)27(5)22-26(4)23-36(49-12)42(47)53-41/h15,17-20,22-23,27-31,33-35,37-41,45-46H,16,21,24H2,1-14H3/b18-15+,20-17-,25-19-,26-22-,36-23+/t27-,28-,29-,30+,31+,33-,34-,35+,37-,38-,39-,40-,41-,43-/m1/s1 |
| InChIKey | CGIATPDMRZSAFJ-GYCYSNEMSA-N |
| Literature Reference Author | K.U.BINDSEIL,A.ZEECK |
| Literature Reference Citation | J.ORG.CHEM.,58,5487(1993) |
| Literature Reference DOI | 10.1021/jo00072a036 |
| Molecular Weight | 763.022 g/mol |
| Solvent | CD2Cl2 |
| Source File Reference | UWCS19912 |