| SpectraBase Compound ID | EWRCm0LFQ7d |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-18(2)19(3)8-9-20(4)22-11-12-23-21-10-13-25-28(6,17-15-26(30)29(25,7)31)24(21)14-16-27(22,23)5/h10,18,20,22-26,30-31H,3,8-9,11-17H2,1-2,4-7H3/t20-,22-,23+,24+,25-,26+,27-,28-,29-/m1/s1 |
| InChIKey | KMJSWROJGBDPMI-QQHSWTODSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C29H48O2 |
| Exact Mass | 428.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGY5wHM3pWW |
|---|---|
| Name | 4-ALPHA-METHYL-5-ALPHA-ERGOSTA-7,24(28)-DIENE-3-BETA,4-BETA-DIOL |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O2 |
| InChI | InChI=1S/C29H48O2/c1-18(2)19(3)8-9-20(4)22-11-12-23-21-10-13-25-28(6,17-15-26(30)29(25,7)31)24(21)14-16-27(22,23)5/h10,18,20,22-26,30-31H,3,8-9,11-17H2,1-2,4-7H3/t20-,22-,23+,24+,25-,26+,27-,28-,29-/m1/s1 |
| InChIKey | KMJSWROJGBDPMI-QQHSWTODSA-N |
| Literature Reference Author | V.K.AGNIHOTRI,H.N.ELSOHLY,S.I.KHAN,T.J.SMILLIE,I.A.KHAN,L.A. WALKER |
| Literature Reference Citation | PHYTOCHEM.,69,2061(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.04.009 |
| Molecular Weight | 428.699 g/mol |
| Sample ID | 63207 |
| Solvent | CDCl3 |