| SpectraBase Compound ID | 5y3uADkWBC6 |
|---|---|
| InChI | InChI=1S/C33H46N6O5S/c1-5-20(4)27-30(42)36-26(19(2)3)33(44)39-16-10-14-25(39)32(43)38-15-9-13-24(38)29(41)34-22(17-21-11-7-6-8-12-21)31-35-23(18-45-31)28(40)37-27/h6-8,11-12,19-20,22-27H,5,9-10,13-18H2,1-4H3,(H,34,41)(H,36,42)(H,37,40)/t20-,22+,23+,24-,25-,26-,27-/m0/s1 |
| InChIKey | PCJVGSSHAGXUGI-NIGUMGSVSA-N |
| Mol Weight | 638.8 g/mol |
| Molecular Formula | C33H46N6O5S |
| Exact Mass | 638.32504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xzenwhJeg0 |
|---|---|
| Name | MOLLAMIDE_F |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H46N6O5S |
| InChI | InChI=1S/C33H46N6O5S/c1-5-20(4)27-30(42)36-26(19(2)3)33(44)39-16-10-14-25(39)32(43)38-15-9-13-24(38)29(41)34-22(17-21-11-7-6-8-12-21)31-35-23(18-45-31)28(40)37-27/h6-8,11-12,19-20,22-27H,5,9-10,13-18H2,1-4H3,(H,34,41)(H,36,42)(H,37,40)/t20-,22+,23+,24-,25-,26-,27-/m0/s1 |
| InChIKey | PCJVGSSHAGXUGI-NIGUMGSVSA-N |
| Literature Reference Author | Z.LU,M.K.HARPER,C.D.POND,L.R.BARROWS,C.M.IRELAND,R.M.VANWAGO NER |
| Literature Reference Citation | J.NAT.PROD.,75,1436(2012) |
| Literature Reference DOI | 10.1021/np300270p |
| Molecular Weight | 638.825 g/mol |
| Sample ID | 41366 |
| Solvent | DMSO-D6 |