| SpectraBase Compound ID | IU35S626mqc |
|---|---|
| InChI | InChI=1S/C23H32O4/c1-13(21(26)27-4)17-7-8-18-16-6-5-14-11-15(24)9-10-22(14,2)19(16)12-20(25)23(17,18)3/h11,16,18-20,25H,5-10,12H2,1-4H3/b17-13+/t16?,18?,19?,20-,22?,23?/m0/s1 |
| InChIKey | WKOJNELNROQDCL-XZADYFMKSA-N |
| Mol Weight | 372.5 g/mol |
| Molecular Formula | C23H32O4 |
| Exact Mass | 372.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JDSVlO1cz2 |
|---|---|
| Name | Methyl 12.alpha.-hydroxy-bis-norchola-4,17(20)-dien-22-oate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H32O4 |
| InChI | InChI=1S/C23H32O4/c1-13(21(26)27-4)17-7-8-18-16-6-5-14-11-15(24)9-10-22(14,2)19(16)12-20(25)23(17,18)3/h11,16,18-20,25H,5-10,12H2,1-4H3/b17-13+/t16?,18?,19?,20-,22?,23?/m0/s1 |
| InChIKey | WKOJNELNROQDCL-XZADYFMKSA-N |
| Molecular Weight | 372.505 g/mol |
| SMILES | O[C@@]1(C2(\C(=C\(C(=O)OC)C)CCC2C2CCC=3C(C2C1)(CCC(=O)C3)C)C)[H] |
| SPLASH | splash10-052f-9604000000-d60a311db6379e20b512 |
| Source of Spectrum | G4-58-1227-9 |
| Wiley ID | 1606007 |