| SpectraBase Compound ID | EXg6rO9hxcN |
|---|---|
| InChI | InChI=1S/C31H51ClO4/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(32)31(36-22(5)34)18-23(35-21(4)33)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28H,8-18H2,1-7H3/t20-,23+,24+,25-,26+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | KWUMBMBSDUWCSF-ZJBXHLDWSA-N |
| Mol Weight | 523.2 g/mol |
| Molecular Formula | C31H51ClO4 |
| Exact Mass | 522.347588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AiMzuH3eA9 |
|---|---|
| Name | 6-BETA-CHLORO-5-ALPHA-CHOLESTAN-3-BETA-5-DIOL-DIACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H51ClO4 |
| InChI | InChI=1S/C31H51ClO4/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(32)31(36-22(5)34)18-23(35-21(4)33)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28H,8-18H2,1-7H3/t20-,23+,24+,25-,26+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | KWUMBMBSDUWCSF-ZJBXHLDWSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 523.197 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW1908 |