| SpectraBase Compound ID | 6j9lRvyQai7 |
|---|---|
| InChI | InChI=1S/C37H46N4O10/c1-20-16-22(3)33(45)38-24(5)35(47)41(6)30(19-37(49-7)27-10-8-9-11-28(27)40-36(48)51-37)34(46)39-29(25-12-14-26(42)15-13-25)18-31(43)50-23(4)17-21(2)32(20)44/h8-15,21-24,29-30,42H,1,16-19H2,2-7H3,(H,38,45)(H,39,46)(H,40,48)/t21-,22+,23+,24+,29-,30-,37?/m1/s1 |
| InChIKey | RQLWSJMGPWEQKG-YOGDKXMMSA-N |
| Mol Weight | 706.8 g/mol |
| Molecular Formula | C37H46N4O10 |
| Exact Mass | 706.321394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rBAMcv6vO0 |
|---|---|
| Name | JASPLAKINOLIDE_U |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46N4O10 |
| InChI | InChI=1S/C37H46N4O10/c1-20-16-22(3)33(45)38-24(5)35(47)41(6)30(19-37(49-7)27-10-8-9-11-28(27)40-36(48)51-37)34(46)39-29(25-12-14-26(42)15-13-25)18-31(43)50-23(4)17-21(2)32(20)44/h8-15,21-24,29-30,42H,1,16-19H2,2-7H3,(H,38,45)(H,39,46)(H,40,48)/t21-,22+,23+,24+,29-,30-,37?/m1/s1 |
| InChIKey | RQLWSJMGPWEQKG-YOGDKXMMSA-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 | 706.793 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ46333 |