| SpectraBase Compound ID | E079LNRmUEd |
|---|---|
| InChI | InChI=1S/C34H42N2O3/c1-32-18-15-27(37)21-25(32)13-14-28-29(32)16-19-33(2)30(28)17-20-34(33,39)23-36(22-24-9-5-3-6-10-24)31(38)35-26-11-7-4-8-12-26/h3-14,27,29-30,37,39H,15-23H2,1-2H3,(H,35,38)/t27-,29-,30-,32-,33-,34+/m0/s1 |
| InChIKey | JBLPYLZQINUZSP-PIJLVWTLSA-N |
| Mol Weight | 526.7 g/mol |
| Molecular Formula | C34H42N2O3 |
| Exact Mass | 526.319543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wPQXMJeAXE |
|---|---|
| Name | 1-BENZYL-1-(3B,17B-DIHYDROXY-ANDROSTA-5,7-DIEN-17A-YLMETHYL)-3-PHENYLUREA |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H42N2O3 |
| InChI | InChI=1S/C34H42N2O3/c1-32-18-15-27(37)21-25(32)13-14-28-29(32)16-19-33(2)30(28)17-20-34(33,39)23-36(22-24-9-5-3-6-10-24)31(38)35-26-11-7-4-8-12-26/h3-14,27,29-30,37,39H,15-23H2,1-2H3,(H,35,38)/t27-,29-,30-,32-,33-,34+/m0/s1 |
| InChIKey | JBLPYLZQINUZSP-PIJLVWTLSA-N |
| Literature Reference Author | N.KUMAR,M.KIUCHI,J.A.TALLARICO,S.L.SCHREIBER |
| Literature Reference Citation | ORG.LETTERS,7,2535(2005) |
| Literature Reference DOI | 10.1021/ol0504345 |
| Molecular Weight | 526.719 g/mol |
| Sample ID | 42958 |
| Solvent | CDCl3 |