| SpectraBase Compound ID | 2dUVMSAHGkw |
|---|---|
| InChI | InChI=1S/C27H32N2O8/c1-5-35-26(33)22(21-10-9-16(13-30)28-21)29-24(31)23(27(3)14-36-27)37-25(32)20-12-17(34-4)11-19-15(2)7-6-8-18(19)20/h6-8,11-12,16,23,28,30H,5,9-10,13-14H2,1-4H3,(H,29,31)/b22-21+/t16-,23+,27-/m0/s1 |
| InChIKey | PAPNUHHUXMBSPC-GLDCHDTLSA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C27H32N2O8 |
| Exact Mass | 512.215866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HC78NBifndK |
|---|---|
| Name | -oxiranyl)-methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H32N2O8 |
| InChI | InChI=1S/C27H32N2O8/c1-5-35-26(33)22(21-10-9-16(13-30)28-21)29-24(31)23(27(3)14-36-27)37-25(32)20-12-17(34-4)11-19-15(2)7-6-8-18(19)20/h6-8,11-12,16,23,28,30H,5,9-10,13-14H2,1-4H3,(H,29,31)/b22-21+/t16-,23+,27-/m0/s1 |
| InChIKey | PAPNUHHUXMBSPC-GLDCHDTLSA-N |
| Molecular Weight | 512.559 g/mol |
| SMILES | N1[C@](CO)(CC\C1=C\(NC([C@]([C@]1(OC1)C)(OC(c1c2c(c(C)ccc2)cc(c1)OC)=O)[H])=O)C(=O)OCC)[H] |
| SPLASH | splash10-00kb-0941010000-c28f88a99ccedf2f3c18 |
| Source of Spectrum | F-59-3037-i |
| Synonyms | 3-Methoxy-5-methyl-naphthalene-1-carboxylic acid (S)-({ethoxycarbonyl-[(S)-5-hydroxymethyl-pyrrolidin-(2E)-ylidene]-methyl}-carbamoyl)-((S)-2-methyl Ethyl 2-[(2S,3S)-3,4-Epooxy-2-(3-methoxy-5-methyl-1-naphthoyl)-3-methylbutyryl]amino-2-[(S)-5-(hydroxy)methylpyrrolidin-2-ylidene]acetate |
| Wiley ID | 1677822 |