| SpectraBase Compound ID | 9ayjZrE0qXc |
|---|---|
| InChI | InChI=1S/C35H51NO4/c1-22-10-13-30(36(20-22)33(39)40-21-24-8-6-5-7-9-24)23(2)32-31(38)19-29-27-12-11-25-18-26(37)14-16-34(25,3)28(27)15-17-35(29,32)4/h5-9,11,22-23,26-32,37-38H,10,12-21H2,1-4H3/t22-,23-,26+,27-,28+,29+,30-,31+,32+,34+,35+/m1/s1 |
| InChIKey | DSGYFGMDGPJMKH-QORLVATLSA-N |
| Mol Weight | 549.8 g/mol |
| Molecular Formula | C35H51NO4 |
| Exact Mass | 549.381809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B70gZyZ9SoW |
|---|---|
| Name | (22S,25R)-22,26-N-CBZ-EPIMINOCHOLEST-5-ENE-3-BETA,16-BETA-DIOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H51NO4 |
| InChI | InChI=1S/C35H51NO4/c1-22-10-13-30(36(20-22)33(39)40-21-24-8-6-5-7-9-24)23(2)32-31(38)19-29-27-12-11-25-18-26(37)14-16-34(25,3)28(27)15-17-35(29,32)4/h5-9,11,22-23,26-32,37-38H,10,12-21H2,1-4H3/t22-,23-,26+,27-,28+,29+,30-,31+,32+,34+,35+/m1/s1 |
| InChIKey | DSGYFGMDGPJMKH-QORLVATLSA-N |
| Literature Reference Author | E.VILORIA,G.MECCIA,A.N.USUBILLAGA |
| Literature Reference Citation | J.NAT.PROD.,55,1178(1992) |
| Literature Reference DOI | 10.1021/np50087a003 |
| Molecular Weight | 549.794 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS418 |