| SpectraBase Compound ID | A00kLe81o05 |
|---|---|
| InChI | InChI=1S/C50H79NO12/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-39(53)63-49-29-38(60-7)48(55)28-33(40(49)45(48)62-46(54)32-24-25-34(57-4)35(26-32)58-5)50-37(59-6)27-36(52)47(31-56-3)30-51(10-2)44(50)41(49)42(61-8)43(47)50/h24-26,33,36-38,40-45,52,55H,9-23,27-31H2,1-8H3/t33-,36-,37+,38+,40-,41?,42+,43-,44?,45-,47+,48+,49-,50+/m1/s1 |
| InChIKey | BRFIADPUJPTTDR-RLXHARINSA-N |
| Mol Weight | 886.2 g/mol |
| Molecular Formula | C50H79NO12 |
| Exact Mass | 885.560227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpJM9uzF9Je |
|---|---|
| Name | 8-DEACETYLPSEUDACONITINE-8-PALMITATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H79NO12 |
| InChI | InChI=1S/C50H79NO12/c1-9-11-12-13-14-15-16-17-18-19-20-21-22-23-39(53)63-49-29-38(60-7)48(55)28-33(40(49)45(48)62-46(54)32-24-25-34(57-4)35(26-32)58-5)50-37(59-6)27-36(52)47(31-56-3)30-51(10-2)44(50)41(49)42(61-8)43(47)50/h24-26,33,36-38,40-45,52,55H,9-23,27-31H2,1-8H3/t33-,36-,37+,38+,40-,41?,42+,43-,44?,45-,47+,48+,49-,50+/m1/s1 |
| InChIKey | BRFIADPUJPTTDR-RLXHARINSA-N |
| Literature Reference Author | Y.BAI,H.K.DESAI,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,57,963(1994) |
| Literature Reference DOI | 10.1021/np50109a013 |
| Molecular Weight | 886.177 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1504 |