![(1S,2R,2'S)-(+)-1-(N-Benzyloxycarbonylamino)-2-[2'-hydroxy-2'-methoxycarbonyl-2'-([1R,3S,4S,5S]-4-acetoxy-1-methoxycarbonylbicyclo[3.1.0]hexane-3-yl)ethylaminocaronyl]cyclopropane-1-carboxylic acid methyl ester](/api/spectrum/CNHfd3CIPge/structure.png?h=300&w=458 "(1S,2R,2'S)-(+)-1-(N-Benzyloxycarbonylamino)-2-[2'-hydroxy-2'-methoxycarbonyl-2'-([1R,3S,4S,5S]-4-acetoxy-1-methoxycarbonylbicyclo[3.1.0]hexane-3-yl)ethylaminocaronyl]cyclopropane-1-carboxylic acid methyl ester")
| SpectraBase Compound ID | C7rvFX9WIMJ |
|---|---|
| InChI | InChI=1S/C28H34N2O12/c1-15(31)42-20-17-10-26(17,22(33)38-2)11-18(20)28(37,24(35)40-4)14-29-21(32)19-12-27(19,23(34)39-3)30-25(36)41-13-16-8-6-5-7-9-16/h5-9,17-20,37H,10-14H2,1-4H3,(H,29,32)(H,30,36)/t17-,18+,19+,20-,26-,27+,28-/m1/s1 |
| InChIKey | FFFXKOWFDSUAPJ-QHTRKMPFSA-N |
| Mol Weight | 590.6 g/mol |
| Molecular Formula | C28H34N2O12 |
| Exact Mass | 590.211175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CNHfd3CIPge |
|---|---|
| Name | (1S,2R,2'S)-(+)-1-(N-Benzyloxycarbonylamino)-2-[2'-hydroxy-2'-methoxycarbonyl-2'-([1R,3S,4S,5S]-4-acetoxy-1-methoxycarbonylbicyclo[3.1.0]hexane-3-yl)ethylaminocaronyl]cyclopropane-1-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H34N2O12 |
| InChI | InChI=1S/C28H34N2O12/c1-15(31)42-20-17-10-26(17,22(33)38-2)11-18(20)28(37,24(35)40-4)14-29-21(32)19-12-27(19,23(34)39-3)30-25(36)41-13-16-8-6-5-7-9-16/h5-9,17-20,37H,10-14H2,1-4H3,(H,29,32)(H,30,36)/t17-,18+,19+,20-,26-,27+,28-/m1/s1 |
| InChIKey | FFFXKOWFDSUAPJ-QHTRKMPFSA-N |
| Molecular Weight | 590.582 g/mol |
| SMILES | N(C([C@]1([C@](C1)(NC(=O)OCc1ccccc1)C(=O)OC)[H])=O)C[C@@]([C@]1(C[C@]2([C@@]([C@]1(OC(=O)C)[H])(C2)[H])C(=O)OC)[H])(C(=O)OC)O |
| SPLASH | splash10-0a4l-6900000000-2dec3f2f3f0fd2bb84cb |
| Source of Spectrum | QC-7-3477-24 |
| Wiley ID | 869551 |