| SpectraBase Compound ID | 2jH1IbA5HWR |
|---|---|
| InChI | InChI=1S/C39H61NO11/c1-13-14-15-22(3)36(51-39(40)46)27(8)34(44)24(5)18-21(2)19-25(6)35(48-30(11)42)23(4)16-17-32(47-29(10)41)20-33-26(7)37(49-31(12)43)28(9)38(45)50-33/h13-17,19,22-28,32-37,44H,1,18,20H2,2-12H3,(H2,40,46)/b15-14-,17-16-,21-19-/t22-,23-,24-,25-,26-,27-,28+,32+,33-,34+,35-,36-,37-/m0/s1 |
| InChIKey | RUYVGMQDCWIODV-IORCPSHDSA-N |
| Mol Weight | 719.9 g/mol |
| Molecular Formula | C39H61NO11 |
| Exact Mass | 719.424462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8veKDkM7w5E |
|---|---|
| Name | DISCODERMOLIDE-3,7,11-TRIACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H61NO11 |
| InChI | InChI=1S/C39H61NO11/c1-13-14-15-22(3)36(51-39(40)46)27(8)34(44)24(5)18-21(2)19-25(6)35(48-30(11)42)23(4)16-17-32(47-29(10)41)20-33-26(7)37(49-31(12)43)28(9)38(45)50-33/h13-17,19,22-28,32-37,44H,1,18,20H2,2-12H3,(H2,40,46)/b15-14-,17-16-,21-19-/t22-,23-,24-,25-,26-,27-,28+,32+,33-,34+,35-,36-,37-/m0/s1 |
| InChIKey | RUYVGMQDCWIODV-IORCPSHDSA-N |
| Literature Reference Author | S.P.GUNASEKERA,R.E.LONGLEY,R.A.ISBRUCKER |
| Literature Reference Citation | J.NAT.PROD.,64,171(2001) |
| Literature Reference DOI | 10.1021/np000423e |
| Molecular Weight | 719.913 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU3809 |