| SpectraBase Compound ID | 15xhvjmCMD3 |
|---|---|
| InChI | InChI=1S/C43H83NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-41(47)43(49)44-39(36-45)42(48)40(46)33-29-27-24-25-28-32-38-35-37(38)31-6-4-2/h27,29,37-42,45-48H,3-26,28,30-36H2,1-2H3,(H,44,49)/b29-27+/t37?,38?,39-,40-,41-,42+/m0/s1 |
| InChIKey | MFPIKADAVWYTIK-WRXSASFISA-N |
| Mol Weight | 694.1 g/mol |
| Molecular Formula | C43H83NO5 |
| Exact Mass | 693.627125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JoEzKUyzjsX |
|---|---|
| Name | GRACILAMIDE_A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H83NO5 |
| InChI | InChI=1S/C43H83NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-34-41(47)43(49)44-39(36-45)42(48)40(46)33-29-27-24-25-28-32-38-35-37(38)31-6-4-2/h27,29,37-42,45-48H,3-26,28,30-36H2,1-2H3,(H,44,49)/b29-27+/t37?,38?,39-,40-,41-,42+/m0/s1 |
| InChIKey | MFPIKADAVWYTIK-WRXSASFISA-N |
| Literature Reference Author | Y.SUN,Y.XU,K.LIU,H.HUA,H.ZHU,Y.PEI |
| Literature Reference Citation | J.NAT.PROD.,69,1488(2006) |
| Literature Reference DOI | 10.1021/np060043e |
| Molecular Weight | 694.136 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ15840 |