| SpectraBase Compound ID | 8iN0RorTDch |
|---|---|
| InChI | InChI=1S/C39H57NO5/c1-23(25(3)36(42)40-35(37(43)45-8)27-11-13-28(44-7)14-12-27)9-10-24(2)30-17-18-32-29-15-16-31-26(4)34(41)20-22-39(31,6)33(29)19-21-38(30,32)5/h11-14,18,23-24,26,29-31,33-35,41H,3,9-10,15-17,19-22H2,1-2,4-8H3,(H,40,42)/t23?,24-,26+,29?,30-,31+,33+,34+,35-,38-,39+/m1/s1 |
| InChIKey | JURXBTSYRHEANB-MYXYNCHFSA-N |
| Mol Weight | 619.9 g/mol |
| Molecular Formula | C39H57NO5 |
| Exact Mass | 619.423674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A6f3LGggVva |
|---|---|
| Name | JURXBTSYRHEANB-MYXYNCHFSA-N |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H57NO5 |
| InChI | InChI=1S/C39H57NO5/c1-23(25(3)36(42)40-35(37(43)45-8)27-11-13-28(44-7)14-12-27)9-10-24(2)30-17-18-32-29-15-16-31-26(4)34(41)20-22-39(31,6)33(29)19-21-38(30,32)5/h11-14,18,23-24,26,29-31,33-35,41H,3,9-10,15-17,19-22H2,1-2,4-8H3,(H,40,42)/t23?,24-,26+,29?,30-,31+,33+,34+,35-,38-,39+/m1/s1 |
| InChIKey | JURXBTSYRHEANB-MYXYNCHFSA-N |
| Literature Reference Author | F.KONG,R.J.ANDERSEN |
| Literature Reference Citation | J.NAT.PROD.,59,379(1996) |
| Literature Reference DOI | 10.1021/np960098o |
| Molecular Weight | 619.885 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2416 |