| SpectraBase Compound ID | 18cbW7WKgRN |
|---|---|
| InChI | InChI=1S/C42H55N7O13S2.Na/c1-6-24(3)34-35(51)38(54)44-29(19-26-11-13-28(50)14-12-26)39-43-27(22-63-39)18-23(2)17-25(4)42(57)62-21-30(40(55)48-15-8-10-33(48)37(53)46-34)45-36(52)32-9-7-16-49(32)41(56)31(20-61-5)47-64(58,59)60;/h11-14,17-18,22,24,29-34,47,50H,6-10,15-16,19-21H2,1-5H3,(H,44,54)(H,45,52)(H,46,53)(H,58,59,60);/q;+1/p-1/b23-18+,25-17-;/t24-,29+,30+,31+,32-,33+,34+;/m1./s1 |
| InChIKey | MJCWFUMOVWRXTI-AISDHTIISA-M |
| Mol Weight | 952.0 g/mol |
| Molecular Formula | C42H54N7NaO13S2 |
| Exact Mass | 951.311871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3rKRvgaaaUD |
|---|---|
| Name | SCELERITODERMIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54N7NaO13S2 |
| InChI | InChI=1S/C42H55N7O13S2.Na/c1-6-24(3)34-35(51)38(54)44-29(19-26-11-13-28(50)14-12-26)39-43-27(22-63-39)18-23(2)17-25(4)42(57)62-21-30(40(55)48-15-8-10-33(48)37(53)46-34)45-36(52)32-9-7-16-49(32)41(56)31(20-61-5)47-64(58,59)60;/h11-14,17-18,22,24,29-34,47,50H,6-10,15-16,19-21H2,1-5H3,(H,44,54)(H,45,52)(H,46,53)(H,58,59,60);/q;+1/p-1/b23-18+,25-17-;/t24-,29+,30+,31+,32-,33+,34+;/m1./s1 |
| InChIKey | MJCWFUMOVWRXTI-AISDHTIISA-M |
| Literature Reference Author | E.W.SCHMIDT,C.RAVENTOS-SUAREZ,M.BIFANO,A.T.MENENDEZ,C.R.FAIR CHILD,D.J.FAULKNER |
| Literature Reference Citation | J.NAT.PROD.,67,475(2004) |
| Literature Reference DOI | 10.1021/np034035z |
| Molecular Weight | 952.040 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP4161 |