| SpectraBase Compound ID | JWOnGzJkA2P |
|---|---|
| InChI | InChI=1S/C42H49NO14/c1-21-27(55-38(51)32(48)31(43-22(2)44)25-14-10-8-11-15-25)19-42(52)36(56-37(50)26-16-12-9-13-17-26)34-40(7,28(47)18-29-41(34,20-53-29)57-24(4)46)35(49)33(54-23(3)45)30(21)39(42,5)6/h8-17,27-29,31-34,36,47-48,52H,18-20H2,1-7H3,(H,43,44)/t27-,28-,29+,31-,32+,33+,34-,36-,40+,41-,42+/m0/s1 |
| InChIKey | NANZRVGWMMGVIQ-IWMLREIISA-N |
| Mol Weight | 791.8 g/mol |
| Molecular Formula | C42H49NO14 |
| Exact Mass | 791.315305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Mg43zH1loO |
|---|---|
| Name | N-ACETYL-N-DEBENZOYLPACLITAXEL;N-ACETYL-N-DEBENZOYLTAXOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H49NO14 |
| InChI | InChI=1S/C42H49NO14/c1-21-27(55-38(51)32(48)31(43-22(2)44)25-14-10-8-11-15-25)19-42(52)36(56-37(50)26-16-12-9-13-17-26)34-40(7,28(47)18-29-41(34,20-53-29)57-24(4)46)35(49)33(54-23(3)45)30(21)39(42,5)6/h8-17,27-29,31-34,36,47-48,52H,18-20H2,1-7H3,(H,43,44)/t27-,28-,29+,31-,32+,33+,34-,36-,40+,41-,42+/m0/s1 |
| InChIKey | NANZRVGWMMGVIQ-IWMLREIISA-N |
| Literature Reference Author | J.ZHANG,F.SAURIOL,O.MAMER,L.O.ZAMIR |
| Literature Reference Citation | PHYTOCHEM.,54,221(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00079-0 |
| Molecular Weight | 791.849 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1260 |