| SpectraBase Compound ID | EBhkvuC2iRU |
|---|---|
| InChI | InChI=1S/2C47H51NO14/c2*1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h2*7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t2*31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m00/s1 |
| InChIKey | DLXKLWOPIVAZPU-DFJGQYLHSA-N |
| Mol Weight | 1707.8 g/mol |
| Molecular Formula | C94H102N2O28 |
| Exact Mass | 1706.661911 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4AHPd7NHhc3 |
|---|---|
| Name | TAXOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H102N2O28 |
| InChI | InChI=1S/2C47H51NO14/c2*1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h2*7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t2*31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m00/s1 |
| InChIKey | DLXKLWOPIVAZPU-DFJGQYLHSA-N |
| Literature Reference Author | Y.HO,D.L.M.TZOU,F.I.CHU |
| Literature Reference Citation | MAGN.RES.CHEM.,44,581(2006) |
| Literature Reference DOI | 10.1002/mrc.1789 |
| Molecular Weight | 1707.840 g/mol |
| Sample ID | 40768 |
| Solvent | SOLID-STATE |