| SpectraBase Compound ID | 8KqQTa9xQde |
|---|---|
| InChI | InChI=1S/C37H49BrN4O7/c1-21(16-22(2)24(4)20-43)17-23(3)35(46)39-25(5)37(48)42(6)32(18-29-28-10-8-9-11-30(28)40-34(29)38)36(47)41-31(19-33(45)49-7)26-12-14-27(44)15-13-26/h8-16,22-25,31-32,40,43-44H,17-20H2,1-7H3,(H,39,46)(H,41,47)/b21-16+/t22-,23-,24-,25-,31-,32+/m0/s1 |
| InChIKey | XIAWFWAUHAXICS-OICUDASWSA-N |
| Mol Weight | 741.7 g/mol |
| Molecular Formula | C37H49BrN4O7 |
| Exact Mass | 740.278463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4qYPWkRuVz |
|---|---|
| Name | (+)-JASPLAKINOLIDE_Z_2 |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H49BrN4O7 |
| InChI | InChI=1S/C37H49BrN4O7/c1-21(16-22(2)24(4)20-43)17-23(3)35(46)39-25(5)37(48)42(6)32(18-29-28-10-8-9-11-30(28)40-34(29)38)36(47)41-31(19-33(45)49-7)26-12-14-27(44)15-13-26/h8-16,22-25,31-32,40,43-44H,17-20H2,1-7H3,(H,39,46)(H,41,47)/b21-16+/t22-,23-,24-,25-,31-,32+/m0/s1 |
| InChIKey | XIAWFWAUHAXICS-OICUDASWSA-N |
| Literature Reference Author | K.R.WATTS,B.I.MORINAKA,T.AMAGATA,S.J.ROBINSON,K.TENNEY,W.M.B RAY,N.C.GASSNER,R.S. |
| Literature Reference Citation | J.NAT.PROD.,74,341(2011) |
| Literature Reference DOI | 10.1021/np100721g |
| Molecular Weight | 741.723 g/mol |
| Sample ID | 37439 |
| Solvent | CD3OD |