| SpectraBase Compound ID | KnhhHv775h6 |
|---|---|
| InChI | InChI=1S/C57H57NO7S/c1-40-24-27-46(28-25-40)66(60,61)63-37-36-62-56-33-32-54(39-48(56)53(2,59)31-30-41-16-8-4-9-17-41)49-38-42-26-29-47(51-50(42)55(54,52(56)64-51)34-35-58(49)3)65-57(43-18-10-5-11-19-43,44-20-12-6-13-21-44)45-22-14-7-15-23-45/h4-29,32-33,48-49,52,59H,30-31,34-39H2,1-3H3/t48-,49-,52-,53?,54-,55+,56+/m1/s1 |
| InChIKey | ODXODHDTMCHSPF-PVIMPXKNSA-N |
| Mol Weight | 900.1 g/mol |
| Molecular Formula | C57H57NO7S |
| Exact Mass | 899.385574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiEqByCzncz |
|---|---|
| Name | #5;TE-TDPEO;(5R,6R,7R,9R,13S,14R,20R)-(5-ALPHA,7-ALPHA)-4,5-EPOXY-ALPHA,17-DIMETHYL-ALPHA-(2-PHENYLETHYL)-6-(2-(4-TOLUENE-SULFONYLOXY)-ETHOXY)-3-TRIPHEN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H57NO7S |
| InChI | InChI=1S/C57H57NO7S/c1-40-24-27-46(28-25-40)66(60,61)63-37-36-62-56-33-32-54(39-48(56)53(2,59)31-30-41-16-8-4-9-17-41)49-38-42-26-29-47(51-50(42)55(54,52(56)64-51)34-35-58(49)3)65-57(43-18-10-5-11-19-43,44-20-12-6-13-21-44)45-22-14-7-15-23-45/h4-29,32-33,48-49,52,59H,30-31,34-39H2,1-3H3/t48-,49-,52-,53?,54-,55+,56+/m1/s1 |
| InChIKey | ODXODHDTMCHSPF-PVIMPXKNSA-N |
| Literature Reference Author | J.MARTON,G.HENRIKSEN |
| Literature Reference Citation | MOLECULES,17,11554(2012) |
| Literature Reference DOI | 10.3390/molecules171011554 |
| Molecular Weight | 900.142 g/mol |
| Sample ID | 816 |
| Solvent | CDCl3 |