| SpectraBase Compound ID | 73kWu7qhtXv |
|---|---|
| InChI | InChI=1S/C35H49NO4/c1-21(20-36-32(39)25-10-5-6-11-26(25)33(36)40)8-7-9-22(2)31-30(38)19-29-27-13-12-23-18-24(37)14-16-34(23,3)28(27)15-17-35(29,31)4/h5-6,10-12,21-22,24,27-31,37-38H,7-9,13-20H2,1-4H3/t21-,22-,24+,27-,28+,29+,30+,31+,34+,35+/m1/s1 |
| InChIKey | GXGXHYUDKSSUPG-WCWPKHNUSA-N |
| Mol Weight | 547.8 g/mol |
| Molecular Formula | C35H49NO4 |
| Exact Mass | 547.366159 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 | ivmhG63OCw |
|---|---|
| Name | (25R)-26-Phthalimido-5-cholesten-3beta,16BETA-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 547.366159058 u |
| Formula | C35H49NO4 |
| InChI | InChI=1S/C35H49NO4/c1-21(20-36-32(39)25-10-5-6-11-26(25)33(36)40)8-7-9-22(2)31-30(38)19-29-27-13-12-23-18-24(37)14-16-34(23,3)28(27)15-17-35(29,31)4/h5-6,10-12,21-22,24,27-31,37-38H,7-9,13-20H2,1-4H3/t21-,22-,24+,27-,28+,29+,30+,31+,34+,35+/m1/s1 |
| InChIKey | GXGXHYUDKSSUPG-WCWPKHNUSA-N |
| Molecular Weight | 547.780 g/mol |
| SMILES | [C@@]12([C@@]3([C@]([C@]4([C@@]([C@@]([C@](C)(CCC[C@@](C)(CN5C(C6=C(C5=O)C=CC=C6)=O)[H])[H])([C@](C4)(O)[H])[H])(CC3)C)[H])(CC=C2C[C@](CC1)(O)[H])[H])[H])C |