| SpectraBase Compound ID | C8uA6QxHNaI |
|---|---|
| InChI | InChI=1S/C37H52N2O10/c1-8-39-17-34(18-48-32(42)21-11-9-10-12-24(21)38-20(4)40)14-13-26(46-6)36-23-15-22-25(45-5)16-35(43,27(23)28(22)49-31(41)19(2)3)37(44,33(36)39)30(47-7)29(34)36/h9-12,19,22-23,25-30,33,43-44H,8,13-18H2,1-7H3,(H,38,40)/t22-,23?,25+,26+,27?,28+,29?,30+,33?,34+,35-,36+,37-/m1/s1 |
| InChIKey | HSMSTEOBVIMRFO-YNUWJLQHSA-N |
| Mol Weight | 684.8 g/mol |
| Molecular Formula | C37H52N2O10 |
| Exact Mass | 684.362196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2dl00S0dmof |
|---|---|
| Name | 14-DEACETYL-14-ISO-BUTYRYL-AJADINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H52N2O10 |
| InChI | InChI=1S/C37H52N2O10/c1-8-39-17-34(18-48-32(42)21-11-9-10-12-24(21)38-20(4)40)14-13-26(46-6)36-23-15-22-25(45-5)16-35(43,27(23)28(22)49-31(41)19(2)3)37(44,33(36)39)30(47-7)29(34)36/h9-12,19,22-23,25-30,33,43-44H,8,13-18H2,1-7H3,(H,38,40)/t22-,23?,25+,26+,27?,28+,29?,30+,33?,34+,35-,36+,37-/m1/s1 |
| InChIKey | HSMSTEOBVIMRFO-YNUWJLQHSA-N |
| Literature Reference Author | P.M.SHRESTHA,A.KATZ |
| Literature Reference Citation | J.NAT.PROD.,63,2(2000) |
| Literature Reference DOI | 10.1021/np990250x |
| Molecular Weight | 684.827 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU1618 |