| SpectraBase Compound ID | IFcgL5ZeFkV |
|---|---|
| InChI | InChI=1S/C29H46O4/c1-17(19(3)16-33-6)7-8-18(2)21-9-10-22-20-15-25(31)26-27(32)24(30)12-14-29(26,5)23(20)11-13-28(21,22)4/h15,18-19,21-24,26-27,30,32H,1,7-14,16H2,2-6H3/t18-,19?,21-,22+,23+,24+,26+,27-,28-,29-/m1/s1 |
| InChIKey | XCLVYKBMNARCLH-YARWUZRLSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C29H46O4 |
| Exact Mass | 458.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gv3Y3XBkTL |
|---|---|
| Name | 3-BETA,4-ALPHA-DIHYDROXY-26-METHOXY-ERGOSTA-7,24(28)-DIEN-6-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O4 |
| InChI | InChI=1S/C29H46O4/c1-17(19(3)16-33-6)7-8-18(2)21-9-10-22-20-15-25(31)26-27(32)24(30)12-14-29(26,5)23(20)11-13-28(21,22)4/h15,18-19,21-24,26-27,30,32H,1,7-14,16H2,2-6H3/t18-,19?,21-,22+,23+,24+,26+,27-,28-,29-/m1/s1 |
| InChIKey | XCLVYKBMNARCLH-YARWUZRLSA-N |
| Literature Reference Author | M.F.QIAO,N.Y.JI,F.P.MIAO,X.L.YIN |
| Literature Reference Citation | MAGN.RES.CHEM.,49,366(2011) |
| Literature Reference DOI | 10.1002/mrc.2748 |
| Molecular Weight | 458.682 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT12953 |