| SpectraBase Compound ID | G469wyxF4Kw |
|---|---|
| InChI | InChI=1S/C33H49NO8/c1-20-15-16-32(6)21(2)24(41-27(36)12-10-9-11-17-34-30(39)42-31(3,4)5)13-14-26(32)33(20,7)19-22-28(37)23(35)18-25(40-8)29(22)38/h18,20,24,26,37H,2,9-17,19H2,1,3-8H3,(H,34,39)/t20-,24+,26+,32+,33+/m0/s1 |
| InChIKey | ZFJLJASIPIJKKB-BHANGTLGSA-N |
| Mol Weight | 587.8 g/mol |
| Molecular Formula | C33H49NO8 |
| Exact Mass | 587.345818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I2AejesLAS1 |
|---|---|
| Name | (+)-3.alpha.-(6-boc -aminohexanoic acid ester)ilimaquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 587.345817534 u |
| Formula | C33H49NO8 |
| InChI | InChI=1S/C33H49NO8/c1-20-15-16-32(6)21(2)24(41-27(36)12-10-9-11-17-34-30(39)42-31(3,4)5)13-14-26(32)33(20,7)19-22-28(37)23(35)18-25(40-8)29(22)38/h18,20,24,26,37H,2,9-17,19H2,1,3-8H3,(H,34,39)/t20-,24+,26+,32+,33+/m0/s1 |
| InChIKey | ZFJLJASIPIJKKB-BHANGTLGSA-N |
| Molecular Weight | 587.754 g/mol |
| SMILES | C1(=C(C(=O)C=C(C1=O)OC)O)C[C@]1([C@]2([C@](C(=C)[C@@](CC2)(OC(=O)CCCCCNC(OC(C)(C)C)=O)[H])(C)CC[C@@]1(C)[H])[H])C |