| SpectraBase Compound ID | 3mRAB8u1tP |
|---|---|
| InChI | InChI=1S/C39H55NO6/c1-24-12-15-34(40(22-24)37(43)44-23-28-10-8-7-9-11-28)25(2)36-35(46-27(4)42)21-33-31-14-13-29-20-30(45-26(3)41)16-18-38(29,5)32(31)17-19-39(33,36)6/h7-11,13,24-25,30-36H,12,14-23H2,1-6H3/t24-,25-,30+,31-,32+,33+,34-,35+,36+,38+,39+/m1/s1 |
| InChIKey | GZURXYNLXFWOCJ-QQIFTPHXSA-N |
| Mol Weight | 633.9 g/mol |
| Molecular Formula | C39H55NO6 |
| Exact Mass | 633.402938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AS3PW5FvdAR |
|---|---|
| Name | (22S,25R)-22,26-N-CBZ-EPIMINOCHOLEST-5-ENE-3-BETA,16-BETA-DIOL-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H55NO6 |
| InChI | InChI=1S/C39H55NO6/c1-24-12-15-34(40(22-24)37(43)44-23-28-10-8-7-9-11-28)25(2)36-35(46-27(4)42)21-33-31-14-13-29-20-30(45-26(3)41)16-18-38(29,5)32(31)17-19-39(33,36)6/h7-11,13,24-25,30-36H,12,14-23H2,1-6H3/t24-,25-,30+,31-,32+,33+,34-,35+,36+,38+,39+/m1/s1 |
| InChIKey | GZURXYNLXFWOCJ-QQIFTPHXSA-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 | 633.869 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS419 |