| SpectraBase Compound ID | LNjjUpOAlJh |
|---|---|
| InChI | InChI=1S/C29H49ClO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(32)17-21(33-20(4)31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,32H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | KWHDUNLIEHDJHD-BSMCXZHXSA-N |
| Mol Weight | 481.2 g/mol |
| Molecular Formula | C29H49ClO3 |
| Exact Mass | 480.337023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJBh8bq427Q |
|---|---|
| Name | 6-BETA-CHLORO-5-ALPHA-CHOLESTAN-3-BETA-5-DIOL-3-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H49ClO3 |
| InChI | InChI=1S/C29H49ClO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(32)17-21(33-20(4)31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,32H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | KWHDUNLIEHDJHD-BSMCXZHXSA-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 | 481.159 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW1905 |