| SpectraBase Compound ID | 6wYW4bXybCK |
|---|---|
| InChI | InChI=1S/C48H53NO14/c1-26-32(61-44(57)37(53)36(29-17-11-8-12-18-29)49(7)42(55)30-19-13-9-14-20-30)24-48(58)41(62-43(56)31-21-15-10-16-22-31)39-46(6,33(52)23-34-47(39,25-59-34)63-28(3)51)40(54)38(60-27(2)50)35(26)45(48,4)5/h8-22,32-34,36-39,41,52-53,58H,23-25H2,1-7H3/t32-,33-,34+,36-,37+,38+,39-,41-,46+,47-,48+/m0/s1 |
| InChIKey | UATZAEJDBCHOCI-JBTWBBNCSA-N |
| Mol Weight | 867.9 g/mol |
| Molecular Formula | C48H53NO14 |
| Exact Mass | 867.346605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5L3uTPiZ9fU |
|---|---|
| Name | TAXUSPINANANE-I;N-METHYL-PACLITAXEL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H53NO14 |
| InChI | InChI=1S/C48H53NO14/c1-26-32(61-44(57)37(53)36(29-17-11-8-12-18-29)49(7)42(55)30-19-13-9-14-20-30)24-48(58)41(62-43(56)31-21-15-10-16-22-31)39-46(6,33(52)23-34-47(39,25-59-34)63-28(3)51)40(54)38(60-27(2)50)35(26)45(48,4)5/h8-22,32-34,36-39,41,52-53,58H,23-25H2,1-7H3/t32-,33-,34+,36-,37+,38+,39-,41-,46+,47-,48+/m0/s1 |
| InChIKey | UATZAEJDBCHOCI-JBTWBBNCSA-N |
| Literature Reference Author | H.MORITA,A.GONDA,L.WEI,Y.YAMAMURA,H.WAKABAYASHI,K.TAKEYA,H.I TOKAWA |
| Literature Reference Citation | PHYTOCHEM.,48,857(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00870-4 |
| Molecular Weight | 867.947 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1247 |