| SpectraBase Compound ID | 6ZAwnbqV4jJ |
|---|---|
| InChI | InChI=1S/C39H53NO8/c1-22-12-13-30(40(20-22)36(44)45-21-26-10-8-7-9-11-26)23(2)34-32(47-25(4)42)19-29-27-18-33-39(48-33)35(43)31(46-24(3)41)15-17-38(39,6)28(27)14-16-37(29,34)5/h7-11,22-23,27-34H,12-21H2,1-6H3/t22-,23-,27-,28+,29+,30-,31+,32+,33?,34+,37+,38-,39?/m1/s1 |
| InChIKey | MOGGIADGSZVIGJ-OGFCKEPGSA-N |
| Mol Weight | 663.9 g/mol |
| Molecular Formula | C39H53NO8 |
| Exact Mass | 663.377118 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4NJOLD6kE4d |
|---|---|
| Name | (22S,25R)-3-BETA,16-BETA-DIACETOXY-22,26-N-CBZ-EPIMINOCHOLESTAN-5,6-OXIDO-4-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H53NO8 |
| InChI | InChI=1S/C39H53NO8/c1-22-12-13-30(40(20-22)36(44)45-21-26-10-8-7-9-11-26)23(2)34-32(47-25(4)42)19-29-27-18-33-39(48-33)35(43)31(46-24(3)41)15-17-38(39,6)28(27)14-16-37(29,34)5/h7-11,22-23,27-34H,12-21H2,1-6H3/t22-,23-,27-,28+,29+,30-,31+,32+,33?,34+,37+,38-,39?/m1/s1 |
| InChIKey | MOGGIADGSZVIGJ-OGFCKEPGSA-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 | 663.852 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS424 |