| SpectraBase Compound ID | IQVLQLGsNYZ |
|---|---|
| InChI | InChI=1S/C27H45NO3/c1-15-11-23(30)27(28-14-15)16(2)24-22(31-27)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h15-24,28-30H,5-14H2,1-4H3/t15-,16?,17?,18?,19?,20?,21?,22?,23+,24?,25?,26?,27+/m1/s1 |
| InChIKey | BEGKBLQBGOVHNM-SWSLHATLSA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C27H45NO3 |
| Exact Mass | 431.339944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Bznauk8oobC |
|---|---|
| Name | 9.alpha.-3,22-Dihydroxy-dihydrosolasodine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.339944310 u |
| Formula | C27H45NO3 |
| InChI | InChI=1S/C27H45NO3/c1-15-11-23(30)27(28-14-15)16(2)24-22(31-27)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h15-24,28-30H,5-14H2,1-4H3/t15-,16?,17?,18?,19?,20?,21?,22?,23+,24?,25?,26?,27+/m1/s1 |
| InChIKey | BEGKBLQBGOVHNM-SWSLHATLSA-N |
| Molecular Weight | 431.661 g/mol |
| SMILES | C1C2C(C([C@@]3(O2)NC[C@@](C[C@@]3(O)[H])(C)[H])C)C2(C1C1CCC3C(C1CC2)(CCC(C3)O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874688 |