| SpectraBase Compound ID | GBkLMJGNEXY |
|---|---|
| InChI | InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1 |
| InChIKey | KXSGCAPYMUMVSH-VFYPFKDGSA-N |
| Mol Weight | 963.1 g/mol |
| Molecular Formula | C48H66N8O13 |
| Exact Mass | 962.474934 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDWNSJaKQQR |
|---|---|
| Name | MOLASSAMIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H66N8O13 |
| InChI | InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1 |
| InChIKey | KXSGCAPYMUMVSH-VFYPFKDGSA-N |
| Literature Reference Author | S.P.GUNASEKERA,M.W.MILLER,J.C.KWAN,H.LUESCH,V.J.PAUL |
| Literature Reference Citation | J.NAT.PROD.,73,459(2010) |
| Literature Reference DOI | 10.1021/np900603f |
| Molecular Weight | 963.098 g/mol |
| Sample ID | 35113 |
| Solvent | CD3CN |