| SpectraBase Compound ID | Hlza3HtOt9e |
|---|---|
| InChI | InChI=1S/C32H44N4O8/c1-20-17-27(31(42)35(2)26(32(43)44)5-3-4-16-33)36(19-20)30(41)25(15-10-21-6-11-23(37)12-7-21)34-29(40)28(39)18-22-8-13-24(38)14-9-22/h6-9,11-14,20,25-28,37-39H,3-5,10,15-19,33H2,1-2H3,(H,34,40)(H,43,44)/t20?,25-,26-,27+,28-/m1/s1 |
| InChIKey | GYOYQEPTCVDBLP-HANIFLSOSA-N |
| Mol Weight | 612.7 g/mol |
| Molecular Formula | C32H44N4O8 |
| Exact Mass | 612.315914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOkjPlzPsrS |
|---|---|
| Name | SPUMIGIN_J;HPLA-HTY-4-ME-PRO-N-ME-LYS;ISOMER_2 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44N4O8 |
| InChI | InChI=1S/C32H44N4O8/c1-20-17-27(31(42)35(2)26(32(43)44)5-3-4-16-33)36(19-20)30(41)25(15-10-21-6-11-23(37)12-7-21)34-29(40)28(39)18-22-8-13-24(38)14-9-22/h6-9,11-14,20,25-28,37-39H,3-5,10,15-19,33H2,1-2H3,(H,34,40)(H,43,44)/t20?,25-,26-,27+,28-/m1/s1 |
| InChIKey | GYOYQEPTCVDBLP-HANIFLSOSA-N |
| Literature Reference Author | A.R.J.ANAS,T.KISUGI,T.UMEZAWA,F.MATSUDA,M.R.CAMPITELLI,R.J.Q UINN,T.OKINO |
| Literature Reference Citation | J.NAT.PROD.,75,1546(2012) |
| Literature Reference DOI | 10.1021/np300282a |
| Molecular Weight | 612.723 g/mol |
| Sample ID | 41408 |
| Solvent | DMSO-D6 |