| SpectraBase Compound ID | 8MRzJefDhGL |
|---|---|
| InChI | InChI=1S/C37H56N2O3/c1-26(11-14-34(42)39-22-20-38(21-23-39)19-7-10-27-8-5-4-6-9-27)30-12-13-31-35-32(16-18-37(30,31)3)36(2)17-15-29(40)24-28(36)25-33(35)41/h4-10,26,28-33,35,40-41H,11-25H2,1-3H3/b10-7+/t26-,28-,29+,30?,31+,32+,33+,35-,36-,37+/m0/s1 |
| InChIKey | QEIVLZWJFZSSID-DSUCQAMKSA-N |
| Mol Weight | 576.9 g/mol |
| Molecular Formula | C37H56N2O3 |
| Exact Mass | 576.429094 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DyD2A6bpsoB |
|---|---|
| Name | N-[4N-cinnamylpiperazin-1-yl)-3.alpha.,7.alpha.-dihydroxy-5.beta.-cholan-24-amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H56N2O3 |
| InChI | InChI=1S/C37H56N2O3/c1-26(11-14-34(42)39-22-20-38(21-23-39)19-7-10-27-8-5-4-6-9-27)30-12-13-31-35-32(16-18-37(30,31)3)36(2)17-15-29(40)24-28(36)25-33(35)41/h4-10,26,28-33,35,40-41H,11-25H2,1-3H3/b10-7+/t26-,28-,29+,30?,31+,32+,33+,35-,36-,37+/m0/s1 |
| InChIKey | QEIVLZWJFZSSID-DSUCQAMKSA-N |
| Molecular Weight | 576.866 g/mol |
| SMILES | O[C@]1(C[C@@]2([C@@]([C@]3([C@@]([C@@](C2)(O)[H])([C@@]2([C@](CC3)(C(CC2)[C@](CCC(N2CCN(C\C=C\c3ccccc3)CC2)=O)(C)[H])C)[H])[H])[H])(CC1)C)[H])[H] |
| SPLASH | splash10-00di-0930040000-508694ea654c862a88af |
| Source of Spectrum | F2-45-2917-7b |
| Wiley ID | 1689228 |