| SpectraBase Compound ID | 69DsADsNEEB |
|---|---|
| InChI | InChI=1S/C30H46N6O6S/c1-8-18(5)24-29(41)36-12-10-11-22(36)27(40)31-14-23(37)32-20(15-42-30(6,7)9-2)25(38)33-19(13-17(3)4)28-34-21(16-43-28)26(39)35-24/h9,16-20,22,24H,2,8,10-15H2,1,3-7H3,(H,31,40)(H,32,37)(H,33,38)(H,35,39)/t18?,19-,20-,22-,24-/m0/s1 |
| InChIKey | XUWMKNIBSBACMR-NJGCPOGUSA-N |
| Mol Weight | 618.8 g/mol |
| Molecular Formula | C30H46N6O6S |
| Exact Mass | 618.319954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXvyCIuLVMP |
|---|---|
| Name | MOLLAMIDE_C |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46N6O6S |
| InChI | InChI=1S/C30H46N6O6S/c1-8-18(5)24-29(41)36-12-10-11-22(36)27(40)31-14-23(37)32-20(15-42-30(6,7)9-2)25(38)33-19(13-17(3)4)28-34-21(16-43-28)26(39)35-24/h9,16-20,22,24H,2,8,10-15H2,1,3-7H3,(H,31,40)(H,32,37)(H,33,38)(H,35,39)/t18?,19-,20-,22-,24-/m0/s1 |
| InChIKey | XUWMKNIBSBACMR-NJGCPOGUSA-N |
| Literature Reference Author | M.S.DONIA,B.WANG,D.C.DUNBAR,P.V.DESAI,A.PATNY,M.AVERY,M.T.HA MANN |
| Literature Reference Citation | J.NAT.PROD.,71,941(2008) |
| Literature Reference DOI | 10.1021/np700718p |
| Molecular Weight | 618.792 g/mol |
| Sample ID | 28366 |
| Solvent | CDCl3 |