SpectraBase Compound ID | 66zCkIRVHAY |
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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 |
SpectraBase Spectrum ID | 3UlQOZy12m |
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Name | L-2-[(Benzyloxycarbonyl)amino]-4-(cholesta-3,5-dien-3-yl)but-3-enoic 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 |
Synonyms | (3E)-2-{[(benzyloxy)carbonyl]amino}-4-cholesta-3,5-dien-3-yl-3-butenoic acid |
Wiley ID | 1410244 |