| SpectraBase Compound ID | KmMZiSuNYQv |
|---|---|
| InChI | InChI=1S/C39H50N8O6S2/c1-9-20(6)29-37-47-30(21(7)53-37)34(50)40-24(15-23-13-11-10-12-14-23)38-41-25(16-54-38)32(48)43-27(18(2)3)36-46-31(22(8)52-36)35(51)44-28(19(4)5)39-42-26(17-55-39)33(49)45-29/h10-14,16-22,24,27-31H,9,15H2,1-8H3,(H,40,50)(H,43,48)(H,44,51)(H,45,49)/t20?,21?,22?,24-,27+,28-,29+,30?,31+/m1/s1 |
| InChIKey | BEMLSIBAHWVXGD-ODUGWTBSSA-N |
| Mol Weight | 791.0 g/mol |
| Molecular Formula | C39H50N8O6S2 |
| Exact Mass | 790.329474 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | MjWCB0pk3t |
|---|---|
| Name | PATELLAMIDE-E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50N8O6S2 |
| InChI | InChI=1S/C39H50N8O6S2/c1-9-20(6)29-37-47-30(21(7)53-37)34(50)40-24(15-23-13-11-10-12-14-23)38-41-25(16-54-38)32(48)43-27(18(2)3)36-46-31(22(8)52-36)35(51)44-28(19(4)5)39-42-26(17-55-39)33(49)45-29/h10-14,16-22,24,27-31H,9,15H2,1-8H3,(H,40,50)(H,43,48)(H,44,51)(H,45,49)/t20?,21?,22?,24-,27+,28-,29+,30?,31+/m1/s1 |
| InChIKey | BEMLSIBAHWVXGD-ODUGWTBSSA-N |
| Literature Reference Author | L.A.MCDONALD,C.M.IRELAND |
| Literature Reference Citation | J.NAT.PROD.,55,376(1992) |
| Literature Reference DOI | 10.1021/np50081a016 |
| Molecular Weight | 790.996 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWFP195 |