| SpectraBase Compound ID | 6ZYVA8j78Gp |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-24(2,29)13-6-14-27(5,30)23-10-9-21-20-8-7-18-17-19(28)11-15-25(18,3)22(20)12-16-26(21,23)4/h17,20-23,29-30H,6-16H2,1-5H3/t20-,21-,22-,23-,25-,26-,27?/m0/s1 |
| InChIKey | GEYCTESILRJHOA-AFOZDPLPSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KfoIuxeyTwK |
|---|---|
| Name | STACHSTEROL;(20S)-20,25-DIHYDROXY-4-CHOLESTEN-3-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-24(2,29)13-6-14-27(5,30)23-10-9-21-20-8-7-18-17-19(28)11-15-25(18,3)22(20)12-16-26(21,23)4/h17,20-23,29-30H,6-16H2,1-5H3/t20-,21-,22-,23-,25-,26-,27?/m0/s1 |
| InChIKey | GEYCTESILRJHOA-AFOZDPLPSA-N |
| Literature Reference Author | Y.S.WANG,J.H.YANG,S.D.LUO,H.B.ZHANG,L.LI |
| Literature Reference Citation | MOLECULES,12,536(2007) |
| Literature Reference DOI | 10.3390/12030536 |
| Molecular Weight | 416.645 g/mol |
| Sample ID | 57550 |
| Solvent | CDCl3 |