| SpectraBase Compound ID | Kcjht4jkBrK |
|---|---|
| InChI | InChI=1S/C36H45BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-14,20-23,29-30,32,39,42,44H,1,15-18H2,2-6H3,(H,38,45)(H,40,46)/t20-,21+,22+,23+,29-,30-,32+/m1/s1 |
| InChIKey | BJPMREHPIFRLGM-QKWMIRRZSA-N |
| Mol Weight | 725.7 g/mol |
| Molecular Formula | C36H45BrN4O7 |
| Exact Mass | 724.247163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFLPa5UUVO |
|---|---|
| Name | JASPLAKINOLIDE_CA |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45BrN4O7 |
| InChI | InChI=1S/C36H45BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-14,20-23,29-30,32,39,42,44H,1,15-18H2,2-6H3,(H,38,45)(H,40,46)/t20-,21+,22+,23+,29-,30-,32+/m1/s1 |
| InChIKey | BJPMREHPIFRLGM-QKWMIRRZSA-N |
| Literature Reference Author | S.J.ROBINSON,B.I.MORINAKA,T.AMAGATA,K.TENNEY,W.M.BRAY,N.C.GA SSNER,R.S.LOKEY,P.CR |
| Literature Reference Citation | J.MED.CHEM.,53,1651(2010) |
| Literature Reference DOI | 10.1021/jm9013554 |
| Molecular Weight | 725.680 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ46334 |