| SpectraBase Compound ID | 8RiTO5kJF7Q |
|---|---|
| InChI | InChI=1S/C47H51NO13/c1-25-32(59-44(56)37(52)36(28-16-10-7-11-17-28)48-42(54)29-18-12-8-13-19-29)22-31-38(60-43(55)30-20-14-9-15-21-30)40-46(6,33(51)23-34-47(40,24-57-34)61-27(3)50)41(53)39(58-26(2)49)35(25)45(31,4)5/h7-21,31-34,36-40,51-52H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33-,34+,36-,37+,38+,39+,40-,46+,47-/m0/s1 |
| InChIKey | NMFSXFNXTSCWAD-IKOAQKMTSA-N |
| Mol Weight | 837.9 g/mol |
| Molecular Formula | C47H51NO13 |
| Exact Mass | 837.336041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIb6v0yAcvt |
|---|---|
| Name | 1-DEOXYPACLITAXEL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H51NO13 |
| InChI | InChI=1S/C47H51NO13/c1-25-32(59-44(56)37(52)36(28-16-10-7-11-17-28)48-42(54)29-18-12-8-13-19-29)22-31-38(60-43(55)30-20-14-9-15-21-30)40-46(6,33(51)23-34-47(40,24-57-34)61-27(3)50)41(53)39(58-26(2)49)35(25)45(31,4)5/h7-21,31-34,36-40,51-52H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33-,34+,36-,37+,38+,39+,40-,46+,47-/m0/s1 |
| InChIKey | NMFSXFNXTSCWAD-IKOAQKMTSA-N |
| Literature Reference Author | Q.W.SHI,Y.M.ZHAO,X.T.SI,Z.P.LI,T.YAMADA,H.KIYOTA |
| Literature Reference Citation | J.NAT.PROD.,69,280(2006) |
| Literature Reference DOI | 10.1021/np0503451 |
| Molecular Weight | 837.921 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ16983 |