| SpectraBase Compound ID | B7JWjSGX0aq |
|---|---|
| InChI | InChI=1S/C36H47BrN4O7/c1-20(15-21(2)23(4)19-42)16-22(3)34(46)38-24(5)36(48)41(6)31(17-28-27-9-7-8-10-29(27)39-33(28)37)35(47)40-30(18-32(44)45)25-11-13-26(43)14-12-25/h7-15,21-24,30-31,39,42-43H,16-19H2,1-6H3,(H,38,46)(H,40,47)(H,44,45)/b20-15+/t21-,22-,23-,24-,30-,31+/m0/s1 |
| InChIKey | VXOBBEDWLIMGHO-LBMDYRSYSA-N |
| Mol Weight | 727.7 g/mol |
| Molecular Formula | C36H47BrN4O7 |
| Exact Mass | 726.262813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JAVjvGx8vJv |
|---|---|
| Name | (+)-JASPLAKINOLIDE_Z_1 |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H47BrN4O7 |
| InChI | InChI=1S/C36H47BrN4O7/c1-20(15-21(2)23(4)19-42)16-22(3)34(46)38-24(5)36(48)41(6)31(17-28-27-9-7-8-10-29(27)39-33(28)37)35(47)40-30(18-32(44)45)25-11-13-26(43)14-12-25/h7-15,21-24,30-31,39,42-43H,16-19H2,1-6H3,(H,38,46)(H,40,47)(H,44,45)/b20-15+/t21-,22-,23-,24-,30-,31+/m0/s1 |
| InChIKey | VXOBBEDWLIMGHO-LBMDYRSYSA-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 | 727.696 g/mol |
| Sample ID | 37438 |
| Solvent | CD3OD |