![CYClO-[(2,4,5-TRIHYDROXY-PENTANOIC-ACID)-PIPERIDINOYL-ISOLEUCYL-METHYLVALYL-METHYLALANYL-BETA-ALANYL-];DESTRUXIN-ED1](/api/spectrum/I2z99JOIYRP/structure.png?h=300&w=458 "CYClO-[(2,4,5-TRIHYDROXY-PENTANOIC-ACID)-PIPERIDINOYL-ISOLEUCYL-METHYLVALYL-METHYLALANYL-BETA-ALANYL-];DESTRUXIN-ED1")
| SpectraBase Compound ID | Ja5Lw2KRsFl |
|---|---|
| InChI | InChI=1S/C30H51N5O9/c1-8-18(4)24-29(42)34(7)25(17(2)3)30(43)33(6)19(5)26(39)31-13-12-23(38)44-22(15-20(37)16-36)28(41)35-14-10-9-11-21(35)27(40)32-24/h17-22,24-25,36-37H,8-16H2,1-7H3,(H,31,39)(H,32,40)/t18?,19?,20?,21?,22-,24?,25?/m1/s1 |
| InChIKey | WSFGUSJVLMZWTL-TWMMXGPCSA-N |
| Mol Weight | 625.8 g/mol |
| Molecular Formula | C30H51N5O9 |
| Exact Mass | 625.368678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2z99JOIYRP |
|---|---|
| Name | CYClO-[(2,4,5-TRIHYDROXY-PENTANOIC-ACID)-PIPERIDINOYL-ISOLEUCYL-METHYLVALYL-METHYLALANYL-BETA-ALANYL-];DESTRUXIN-ED1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H51N5O9 |
| InChI | InChI=1S/C30H51N5O9/c1-8-18(4)24-29(42)34(7)25(17(2)3)30(43)33(6)19(5)26(39)31-13-12-23(38)44-22(15-20(37)16-36)28(41)35-14-10-9-11-21(35)27(40)32-24/h17-22,24-25,36-37H,8-16H2,1-7H3,(H,31,39)(H,32,40)/t18?,19?,20?,21?,22-,24?,25?/m1/s1 |
| InChIKey | WSFGUSJVLMZWTL-TWMMXGPCSA-N |
| Literature Reference Author | A.JEGOROV,P.SEDMERA,V.HAVLICEK,V.MATHA |
| Literature Reference Citation | PHYTOCHEM.,49,1815(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00337-9 |
| Molecular Weight | 625.763 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU723 |