| SpectraBase Compound ID | pXajaV4liU |
|---|---|
| InChI | InChI=1S/C53H81NO15Si/c1-18-70(19-2,20-3)69-37-27-38-51(29-63-38,67-33(8)56)41-43(66-44(58)34-24-22-21-23-25-34)52(61)28-35(31(6)39(49(52,15)16)40(64-32(7)55)42(57)50(37,41)17)65-45(59)53(62,47(9,10)11)36(26-30(4)5)54-46(60)68-48(12,13)14/h21-25,30,35-38,40-41,43,61-62H,18-20,26-29H2,1-17H3,(H,54,60)/t35-,36-,37-,38+,40+,41-,43-,50?,51-,52+,53-/m0/s1 |
| InChIKey | QAEUZRSUILFYNC-ULQOUMRTSA-N |
| Mol Weight | 1000.3 g/mol |
| Molecular Formula | C53H81NO15Si |
| Exact Mass | 999.537547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBQ04gDYEYM |
|---|---|
| Name | 2'-TERT.-BUTYL-TAXANE;MINOR-ISOMER |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H81NO15Si |
| InChI | InChI=1S/C53H81NO15Si/c1-18-70(19-2,20-3)69-37-27-38-51(29-63-38,67-33(8)56)41-43(66-44(58)34-24-22-21-23-25-34)52(61)28-35(31(6)39(49(52,15)16)40(64-32(7)55)42(57)50(37,41)17)65-45(59)53(62,47(9,10)11)36(26-30(4)5)54-46(60)68-48(12,13)14/h21-25,30,35-38,40-41,43,61-62H,18-20,26-29H2,1-17H3,(H,54,60)/t35-,36-,37-,38+,40+,41-,43-,50?,51-,52+,53-/m0/s1 |
| InChIKey | QAEUZRSUILFYNC-ULQOUMRTSA-N |
| Literature Reference Author | P.DAMBRUOSO,C.BASSARELLO,G.BIFULCO,G.APPENDINO,A.BATTAGLIA,G .FONTANA,L.GOMEZ-PAL |
| Literature Reference Citation | ORG.LETTERS,7,983(2005) |
| Literature Reference DOI | 10.1021/ol047600d |
| Molecular Weight | 1000.309 g/mol |
| Sample ID | 42528 |
| Solvent | CDCl3 |