| SpectraBase Compound ID | 87uYCKG5hh2 |
|---|---|
| InChI | InChI=1S/C47H51NO14/c1-25-31(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/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31?,32-,33+,35?,36?,37+,38+,40?,45+,46-,47+/m0/s1 |
| InChIKey | RCINICONZNJXQF-AWBZTJSJSA-N |
| Mol Weight | 853.9 g/mol |
| Molecular Formula | C47H51NO14 |
| Exact Mass | 853.330955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kwr3VntOVeS |
|---|---|
| Name | PACLITAXEL;TAXOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H51NO14 |
| InChI | InChI=1S/C47H51NO14/c1-25-31(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/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31?,32-,33+,35?,36?,37+,38+,40?,45+,46-,47+/m0/s1 |
| InChIKey | RCINICONZNJXQF-AWBZTJSJSA-N |
| Literature Reference Author | T.MUKAIYAMA,I.SHIINA,H.IWADARE,M.SAITOH,T.NISHIMURA,N.OHKAWA ,H.SAKOH,K.NISHIMURA |
| Literature Reference Citation | CHEM.EUR.J.,5,121(1999) |
| Literature Reference DOI | 10.1002/(sici)1521-3765(19990104)5:1<121::aid-chem121>3.3.co;2-f |
| Molecular Weight | 853.920 g/mol |
| Solvent | C6D6 |
| Source File Reference | UWRU9553 |