![1H-Isoindole-1,3(2H)-dione, 2-[(3.beta.,25R)-3-(acetyloxy)cholest-5-en-26-yl]-](/api/spectrum/8kPVQWdC4qG/structure.png?h=300&w=458 "1H-Isoindole-1,3(2H)-dione, 2-[(3.beta.,25R)-3-(acetyloxy)cholest-5-en-26-yl]-")
| SpectraBase Compound ID | 2rOX2vCfM4W |
|---|---|
| InChI | InChI=1S/C37H51NO4/c1-23(22-38-34(40)28-11-6-7-12-29(28)35(38)41)9-8-10-24(2)31-15-16-32-30-14-13-26-21-27(42-25(3)39)17-19-36(26,4)33(30)18-20-37(31,32)5/h6-7,11-13,23-24,27,30-33H,8-10,14-22H2,1-5H3/t23-,24-,27+,30+,31-,32+,33+,36+,37-/m1/s1 |
| InChIKey | ZFPUJTOLLZGMIJ-PZHRMZLZSA-N |
| Mol Weight | 573.8 g/mol |
| Molecular Formula | C37H51NO4 |
| Exact Mass | 573.381809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8kPVQWdC4qG |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, 2-[(3.beta.,25R)-3-(acetyloxy)cholest-5-en-26-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 573.381809122 u |
| Formula | C37H51NO4 |
| InChI | InChI=1S/C37H51NO4/c1-23(22-38-34(40)28-11-6-7-12-29(28)35(38)41)9-8-10-24(2)31-15-16-32-30-14-13-26-21-27(42-25(3)39)17-19-36(26,4)33(30)18-20-37(31,32)5/h6-7,11-13,23-24,27,30-33H,8-10,14-22H2,1-5H3/t23-,24-,27+,30+,31-,32+,33+,36+,37-/m1/s1 |
| InChIKey | ZFPUJTOLLZGMIJ-PZHRMZLZSA-N |
| Molecular Weight | 573.818 g/mol |
| SMILES | C1(N(C(C2=CC=CC=C12)=O)C[C@@](CCC[C@]([C@@]1([C@@]2([C@@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])([H])CC1)C)[H])(C)[H])(C)[H])=O |