| SpectraBase Compound ID | GdujIG9S1rM |
|---|---|
| InChI | InChI=1S/C27H45NO2.ClH/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2;/h10-11,18,22-25,29-30H,2,6-9,12-17,28H2,1,3-5H3;1H/b20-10+,21-11-;/t18-,22-,23-,24+,25+,27-;/m1./s1 |
| InChIKey | YKEUKLFAOBBDPM-RFHBVEJWSA-N |
| Mol Weight | 452.12 g/mol |
| Molecular Formula | C27H46ClNO2 |
| Exact Mass | 451.321707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pSMQICcRdc |
|---|---|
| Name | 3-BETA-AMINO-3-DEOXY-1-ALPHA,25-DIHYDROXYVITAMIN-D3-HYDROCHLORIDE |
| Compound Number | 4-HCL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46ClNO2 |
| InChI | InChI=1S/C27H45NO2.ClH/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2;/h10-11,18,22-25,29-30H,2,6-9,12-17,28H2,1,3-5H3;1H/b20-10+,21-11-;/t18-,22-,23-,24+,25+,27-;/m1./s1 |
| InChIKey | YKEUKLFAOBBDPM-RFHBVEJWSA-N |
| Literature Reference Author | D.OVES,M.FERRERO,S.FERNANDEZ,V.GOTOR |
| Literature Reference Citation | J.ORG.CHEM.,68,1154(2003) |
| Literature Reference DOI | 10.1021/jo026474t |
| Molecular Weight | 452.121 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU22936 |