![L-2-[(Benzyloxycarbonyl)amino]-4-(cholesta-3,5-dien-3-yl)but-3-enoic acid](/api/spectrum/3UlQOZy12m/structure.png?h=300&w=458 "L-2-[(Benzyloxycarbonyl)amino]-4-(cholesta-3,5-dien-3-yl)but-3-enoic acid")
| SpectraBase Compound ID | 66zCkIRVHAY |
|---|---|
| InChI | InChI=1S/C39H55NO4/c1-26(2)10-9-11-27(3)32-17-18-33-31-16-15-30-24-28(20-22-38(30,4)34(31)21-23-39(32,33)5)14-19-35(36(41)42)40-37(43)44-25-29-12-7-6-8-13-29/h6-8,12-15,19,24,26-27,31-35H,9-11,16-18,20-23,25H2,1-5H3,(H,40,43)(H,41,42)/b19-14+/t27-,31?,32-,33?,34?,35?,38+,39-/m1/s1 |
| InChIKey | XERPXZGFFNEKMK-UOPWEVPRSA-N |
| Mol Weight | 601.9 g/mol |
| Molecular Formula | C39H55NO4 |
| Exact Mass | 601.413109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3UlQOZy12m |
|---|---|
| Name | L-2-[(Benzyloxycarbonyl)amino]-4-(cholesta-3,5-dien-3-yl)but-3-enoic acid |
| Alternate Name(s) | (3E)-2-{[(benzyloxy)carbonyl]amino}-4-cholesta-3,5-dien-3-yl-3-butenoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H55NO4 |
| InChI | InChI=1S/C39H55NO4/c1-26(2)10-9-11-27(3)32-17-18-33-31-16-15-30-24-28(20-22-38(30,4)34(31)21-23-39(32,33)5)14-19-35(36(41)42)40-37(43)44-25-29-12-7-6-8-13-29/h6-8,12-15,19,24,26-27,31-35H,9-11,16-18,20-23,25H2,1-5H3,(H,40,43)(H,41,42)/b19-14+/t27-,31?,32-,33?,34?,35?,38+,39-/m1/s1 |
| InChIKey | XERPXZGFFNEKMK-UOPWEVPRSA-N |
| Molecular Weight | 601.872 g/mol |
| SMILES | N(C(=O)OCc1ccccc1)C(C(=O)O)\C=C\C=1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])C)C |
| SPLASH | splash10-054o-9300000000-7915669035bc273fb269 |
| Source of Spectrum | F-48-3551-8 |
| Wiley ID | 1410244 |