![2',3'-O,N-[(S)-(PARA-METHOXYBENZYLIDENE)]PACLITAXEL](/api/spectrum/AqFbE6Oqej/structure.png?h=300&w=458 "2',3'-O,N-[(S)-(PARA-METHOXYBENZYLIDENE)]PACLITAXEL")
| SpectraBase Compound ID | HsjGxbVKBxw |
|---|---|
| InChI | InChI=1S/C55H57NO15/c1-30-38(68-51(63)44-42(33-17-11-8-12-18-33)56(48(61)34-19-13-9-14-20-34)49(69-44)35-23-25-37(65-7)26-24-35)28-55(64)47(70-50(62)36-21-15-10-16-22-36)45-53(6,39(59)27-40-54(45,29-66-40)71-32(3)58)46(60)43(67-31(2)57)41(30)52(55,4)5/h8-26,38-40,42-45,47,49,59,64H,27-29H2,1-7H3/t38?,39-,40+,42-,43+,44?,45+,47?,49-,53+,54-,55+/m0/s1 |
| InChIKey | MNMLEXBDGSLHMG-XZMDCFGESA-N |
| Mol Weight | 972.1 g/mol |
| Molecular Formula | C55H57NO15 |
| Exact Mass | 971.37282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AqFbE6Oqej |
|---|---|
| Name | 2',3'-O,N-[(S)-(PARA-METHOXYBENZYLIDENE)]PACLITAXEL |
| Compound Number | 84 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H57NO15 |
| InChI | InChI=1S/C55H57NO15/c1-30-38(68-51(63)44-42(33-17-11-8-12-18-33)56(48(61)34-19-13-9-14-20-34)49(69-44)35-23-25-37(65-7)26-24-35)28-55(64)47(70-50(62)36-21-15-10-16-22-36)45-53(6,39(59)27-40-54(45,29-66-40)71-32(3)58)46(60)43(67-31(2)57)41(30)52(55,4)5/h8-26,38-40,42-45,47,49,59,64H,27-29H2,1-7H3/t38?,39-,40+,42-,43+,44?,45+,47?,49-,53+,54-,55+/m0/s1 |
| InChIKey | MNMLEXBDGSLHMG-XZMDCFGESA-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 | 972.055 g/mol |
| Solvent | C6D6 |