| SpectraBase Compound ID | 1tNKo8ngAe |
|---|---|
| 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/i2D3 |
| InChIKey | RCINICONZNJXQF-IUHVCFBNSA-N |
| Mol Weight | 856.9 g/mol |
| Molecular Formula | C47H482H3NO14 |
| Exact Mass | 856.349786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYEFHuD7BW9 |
|---|---|
| Name | 10-DEACTYL-10-TRIDEUTEROACETYLTAXOL |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H482H3NO14 |
| 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/i2D3 |
| InChIKey | RCINICONZNJXQF-IUHVCFBNSA-N |
| Literature Reference Author | S.H.HOKE,R.G.COOKS,C.J.CHANG,R.C.KELLY,S.J.QUALLS,B.ALVARADO ,M.T.MCGUIRE,K.M.SNA |
| Literature Reference Citation | J.NAT.PROD.,57,277(1994) |
| Literature Reference DOI | 10.1021/np50104a013 |
| Molecular Weight | 856.939 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS2437 |