| SpectraBase Compound ID | EHQhROdKNfK |
|---|---|
| InChI | InChI=1S/C30H43NO2/c1-19(8-13-28-31-26-6-4-5-7-27(26)33-28)23-11-12-24-22-10-9-20-18-21(32)14-16-29(20,2)25(22)15-17-30(23,24)3/h4-7,19-25,32H,8-18H2,1-3H3/t19?,20?,21-,22?,23?,24?,25?,29?,30?/m1/s1 |
| InChIKey | SYCGKOJMBQFCKM-FRKTWHPZSA-N |
| Mol Weight | 449.7 g/mol |
| Molecular Formula | C30H43NO2 |
| Exact Mass | 449.32938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JpQ6XVCmZtE |
|---|---|
| Name | 23-(Benzoxazol-2'-yl)nor-cholan-3-.alpha.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 449.329379627 u |
| Formula | C30H43NO2 |
| InChI | InChI=1S/C30H43NO2/c1-19(8-13-28-31-26-6-4-5-7-27(26)33-28)23-11-12-24-22-10-9-20-18-21(32)14-16-29(20,2)25(22)15-17-30(23,24)3/h4-7,19-25,32H,8-18H2,1-3H3/t19?,20?,21-,22?,23?,24?,25?,29?,30?/m1/s1 |
| InChIKey | SYCGKOJMBQFCKM-FRKTWHPZSA-N |
| Molecular Weight | 449.679 g/mol |
| SMILES | C12(C(C3C(C4(C(C[C@](O)(CC4)[H])CC3)C)CC1)CCC2C(CCC1=NC=2C=CC=CC2O1)C)C |