| SpectraBase Compound ID | AGhqo3T2BSD |
|---|---|
| InChI | InChI=1S/C35H49NO4/c1-23(2)24(3)9-10-26(5)32-19-20-33-27(8-7-21-35(32,33)6)12-13-29-22-31(18-11-25(29)4)40-34(37)28-14-16-30(17-15-28)36(38)39/h9-10,12-17,23-26,31-33H,7-8,11,18-22H2,1-6H3/b10-9+,27-12+,29-13+/t24?,25-,26+,31+,32+,33?,35+/m0/s1 |
| InChIKey | BTUISNIRYWZAOQ-LOBYGUDWSA-N |
| Mol Weight | 547.8 g/mol |
| Molecular Formula | C35H49NO4 |
| Exact Mass | 547.366159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RUMsCmYciT |
|---|---|
| Name | EPI-DIHYDRO-TACHYSTEROL-(2)-PARA-NITROBENZOATE-ESTER;(VITAMIN-D-DERIVATIVE) |
| CAS Registry Number | 60503-42-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49NO4 |
| InChI | InChI=1S/C35H49NO4/c1-23(2)24(3)9-10-26(5)32-19-20-33-27(8-7-21-35(32,33)6)12-13-29-22-31(18-11-25(29)4)40-34(37)28-14-16-30(17-15-28)36(38)39/h9-10,12-17,23-26,31-33H,7-8,11,18-22H2,1-6H3/b10-9+,27-12+,29-13+/t24?,25-,26+,31+,32+,33?,35+/m0/s1 |
| InChIKey | BTUISNIRYWZAOQ-LOBYGUDWSA-N |
| Literature Reference Author | E.BERMAN,Z.LUZ,Y.MAZUR,M.SHEVES |
| Literature Reference Citation | J.ORG.CHEM.,42,3325(1977) |
| Literature Reference DOI | 10.1021/jo00441a001 |
| Molecular Weight | 547.778 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR5075 |