| SpectraBase Compound ID | 1FLJPY1xeOX |
|---|---|
| InChI | InChI=1S/C36H45BrN4O8/c1-19(13-20(2)15-22(4)49-32(45)18-30(43)24-11-12-29(42)31(44)16-24)14-21(3)35(47)39-23(5)36(48)41(6)28(34(38)46)17-26-25-9-7-8-10-27(25)40-33(26)37/h7-13,16,20-23,28,40,42,44H,14-15,17-18H2,1-6H3,(H2,38,46)(H,39,47)/b19-13+/t20-,21-,22+,23-,28+/m0/s1 |
| InChIKey | WLNVNURVJRCGBS-SDAUEFLWSA-N |
| Mol Weight | 741.7 g/mol |
| Molecular Formula | C36H45BrN4O8 |
| Exact Mass | 740.242077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GumKgqokQ3L |
|---|---|
| Name | (+)-JASPLAKINOLIDE_Z_5 |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45BrN4O8 |
| InChI | InChI=1S/C36H45BrN4O8/c1-19(13-20(2)15-22(4)49-32(45)18-30(43)24-11-12-29(42)31(44)16-24)14-21(3)35(47)39-23(5)36(48)41(6)28(34(38)46)17-26-25-9-7-8-10-27(25)40-33(26)37/h7-13,16,20-23,28,40,42,44H,14-15,17-18H2,1-6H3,(H2,38,46)(H,39,47)/b19-13+/t20-,21-,22+,23-,28+/m0/s1 |
| InChIKey | WLNVNURVJRCGBS-SDAUEFLWSA-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 | 741.679 g/mol |
| Sample ID | 37444 |
| Solvent | CDCl3 |