| SpectraBase Compound ID | HSEAZsmDe6r |
|---|---|
| InChI | InChI=1S/C36H46N4O8/c1-20-15-21(2)17-23(4)48-31(42)18-29(25-11-13-26(41)14-12-25)38-33(44)30(40(6)34(45)24(5)37-32(43)22(3)16-20)19-36(47)27-9-7-8-10-28(27)39-35(36)46/h7-15,21-24,29-30,41,47H,16-19H2,1-6H3,(H,37,43)(H,38,44)(H,39,46)/b20-15+/t21-,22-,23-,24?,29+,30+,36+/m0/s1 |
| InChIKey | RSWCRIZKTCXEMI-ZHISHWGRSA-N |
| Mol Weight | 662.8 g/mol |
| Molecular Formula | C36H46N4O8 |
| Exact Mass | 662.331564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | brkAEN0tdq |
|---|---|
| Name | JASPLAKINOLIDE_S |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46N4O8 |
| InChI | InChI=1S/C36H46N4O8/c1-20-15-21(2)17-23(4)48-31(42)18-29(25-11-13-26(41)14-12-25)38-33(44)30(40(6)34(45)24(5)37-32(43)22(3)16-20)19-36(47)27-9-7-8-10-28(27)39-35(36)46/h7-15,21-24,29-30,41,47H,16-19H2,1-6H3,(H,37,43)(H,38,44)(H,39,46)/b20-15+/t21-,22-,23-,24?,29+,30+,36+/m0/s1 |
| InChIKey | RSWCRIZKTCXEMI-ZHISHWGRSA-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 | 662.783 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ46331 |