-2-[N-(diphenylmethylidene)amino]-3-(2-furyl)glutarate](/api/spectrum/BCt3JP45LEq/structure.png?h=300&w=458 "1-Ethyl-5-[(1R,2S,5R)-8-phenylmenthyl](2R,3R)-2-[N-(diphenylmethylidene)amino]-3-(2-furyl)glutarate")
| SpectraBase Compound ID | G4D5SuOxeCD |
|---|---|
| InChI | InChI=1S/C40H45NO5/c1-5-44-39(43)38(41-37(29-16-9-6-10-17-29)30-18-11-7-12-19-30)32(34-22-15-25-45-34)27-36(42)46-35-26-28(2)23-24-33(35)40(3,4)31-20-13-8-14-21-31/h6-22,25,28,32-33,35,38H,5,23-24,26-27H2,1-4H3/t28-,32+,33-,35-,38-/m1/s1 |
| InChIKey | HXIXIMYLXKOFSN-ZQKCJTAESA-N |
| Mol Weight | 619.8 g/mol |
| Molecular Formula | C40H45NO5 |
| Exact Mass | 619.329774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BCt3JP45LEq |
|---|---|
| Name | 1-Ethyl-5-[(1R,2S,5R)-8-phenylmenthyl](2R,3R)-2-[N-(diphenylmethylidene)amino]-3-(2-furyl)glutarate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 619.329773548 u |
| Formula | C40H45NO5 |
| InChI | InChI=1S/C40H45NO5/c1-5-44-39(43)38(41-37(29-16-9-6-10-17-29)30-18-11-7-12-19-30)32(34-22-15-25-45-34)27-36(42)46-35-26-28(2)23-24-33(35)40(3,4)31-20-13-8-14-21-31/h6-22,25,28,32-33,35,38H,5,23-24,26-27H2,1-4H3/t28-,32+,33-,35-,38-/m1/s1 |
| InChIKey | HXIXIMYLXKOFSN-ZQKCJTAESA-N |
| Molecular Weight | 619.802 g/mol |
| SMILES | [C@](N=C(C1=CC=CC=C1)C=1C=CC=CC1)([C@](C=1OC=CC1)(CC(O[C@]1([C@](C(C=2C=CC=CC2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)[H])(C(=O)OCC)[H] |