![1-ALPHA-[(TERT.-BUTOXYCARBONYL)-AMINO]-25-HYDROXY-6,7-DEHYDROPREVITAMIN-D3](/api/spectrum/CnA8SfYPwOe/structure.png?h=300&w=458 "1-ALPHA-[(TERT.-BUTOXYCARBONYL)-AMINO]-25-HYDROXY-6,7-DEHYDROPREVITAMIN-D3")
| SpectraBase Compound ID | HZ62UCkFTBf |
|---|---|
| InChI | InChI=1S/2C32H51NO4/c2*1-21(11-9-17-31(6,7)36)26-15-16-27-23(12-10-18-32(26,27)8)13-14-24-19-25(34)20-28(22(24)2)33-29(35)37-30(3,4)5/h2*12,21,25-28,34,36H,9-11,15-20H2,1-8H3,(H,33,35)/t2*21-,25-,26-,27+,28+,32-/m11/s1 |
| InChIKey | XFJQGLAPTHQPIG-SDJUGBRLSA-N |
| Mol Weight | 1027.5 g/mol |
| Molecular Formula | C64H102N2O8 |
| Exact Mass | 1026.763618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CnA8SfYPwOe |
|---|---|
| Name | 1-ALPHA-[(TERT.-BUTOXYCARBONYL)-AMINO]-25-HYDROXY-6,7-DEHYDROPREVITAMIN-D3 |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H102N2O8 |
| InChI | InChI=1S/2C32H51NO4/c2*1-21(11-9-17-31(6,7)36)26-15-16-27-23(12-10-18-32(26,27)8)13-14-24-19-25(34)20-28(22(24)2)33-29(35)37-30(3,4)5/h2*12,21,25-28,34,36H,9-11,15-20H2,1-8H3,(H,33,35)/t2*21-,25-,26-,27+,28+,32-/m11/s1 |
| InChIKey | XFJQGLAPTHQPIG-SDJUGBRLSA-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 | 1027.522 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU22950 |