![ISO-ISARIIN_B;CYCLO-[3-HYDROXY-4-METHYLOCTANOYL-GLY-(2)-VAL-(3)-LEU-(4)-ALA-(5)-VAL-(6)]](/api/spectrum/aWM94WLXTU/structure.png?h=300&w=458 "ISO-ISARIIN_B;CYCLO-[3-HYDROXY-4-METHYLOCTANOYL-GLY-(2)-VAL-(3)-LEU-(4)-ALA-(5)-VAL-(6)]")
| SpectraBase Compound ID | 6XpziKvFCJH |
|---|---|
| InChI | InChI=1S/C30H53N5O7/c1-10-11-12-19(8)22-14-23(36)31-15-24(37)34-25(17(4)5)29(40)33-21(13-16(2)3)28(39)32-20(9)27(38)35-26(18(6)7)30(41)42-22/h16-22,25-26H,10-15H2,1-9H3,(H,31,36)(H,32,39)(H,33,40)(H,34,37)(H,35,38)/t19?,20-,21+,22?,25-,26-/m0/s1 |
| InChIKey | DSWZWPQYGALTJZ-WVHJPHLBSA-N |
| Mol Weight | 595.8 g/mol |
| Molecular Formula | C30H53N5O7 |
| Exact Mass | 595.394499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | aWM94WLXTU |
|---|---|
| Name | ISO-ISARIIN_B;CYCLO-[3-HYDROXY-4-METHYLOCTANOYL-GLY-(2)-VAL-(3)-LEU-(4)-ALA-(5)-VAL-(6)] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H53N5O7 |
| InChI | InChI=1S/C30H53N5O7/c1-10-11-12-19(8)22-14-23(36)31-15-24(37)34-25(17(4)5)29(40)33-21(13-16(2)3)28(39)32-20(9)27(38)35-26(18(6)7)30(41)42-22/h16-22,25-26H,10-15H2,1-9H3,(H,31,36)(H,32,39)(H,33,40)(H,34,37)(H,35,38)/t19?,20-,21+,22?,25-,26-/m0/s1 |
| InChIKey | DSWZWPQYGALTJZ-WVHJPHLBSA-N |
| Literature Reference Author | A.LANGENFELD,A.BLOND,S.GUEYE,P.HERSON,B.NAY,J.DUPONT,S.PRADO |
| Literature Reference Citation | J.NAT.PROD.,74,825(2011) |
| Literature Reference DOI | 10.1021/np100890n |
| Molecular Weight | 595.780 g/mol |
| Sample ID | 37349 |
| Solvent | DMSO-D6 |