| SpectraBase Compound ID | DcnUY0J1QAZ |
|---|---|
| InChI | InChI=1S/C45H68N2O16/c1-20-12-13-30-44(6,25(20)17-26(58-8)31(46)39(55)56)15-14-29-43(4,5)38(54)27(18-45(29,30)7)60-42-35(53)37(36(21(2)59-42)62-40(57)23-10-9-11-24(50)16-23)63-41-32(47-22(3)49)34(52)33(51)28(19-48)61-41/h9-12,16,21,25-38,41-42,48,50-54H,13-15,17-19,46H2,1-8H3,(H,47,49)(H,55,56)/t21-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38-,41+,42-,44+,45-/m1/s1 |
| InChIKey | SAZHWKBRJJLWKC-ZPUUJLEKSA-N |
| Mol Weight | 893.0 g/mol |
| Molecular Formula | C45H68N2O16 |
| Exact Mass | 892.456884 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Awdu55PbSq8 |
|---|---|
| Name | BRASILICARDIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H68N2O16 |
| InChI | InChI=1S/C45H68N2O16/c1-20-12-13-30-44(6,25(20)17-26(58-8)31(46)39(55)56)15-14-29-43(4,5)38(54)27(18-45(29,30)7)60-42-35(53)37(36(21(2)59-42)62-40(57)23-10-9-11-24(50)16-23)63-41-32(47-22(3)49)34(52)33(51)28(19-48)61-41/h9-12,16,21,25-38,41-42,48,50-54H,13-15,17-19,46H2,1-8H3,(H,47,49)(H,55,56)/t21-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38-,41+,42-,44+,45-/m1/s1 |
| InChIKey | SAZHWKBRJJLWKC-ZPUUJLEKSA-N |
| Literature Reference Author | H.SHIGEMORI,H.KOMAKI,K.YAZAWA,Y.MIKAMI,A.NEMOTO,Y.TANAKA,T.S ASAKI,Y.IN,T.ISHIDA, |
| Literature Reference Citation | J.ORG.CHEM.,63,6900(1998) |
| Literature Reference DOI | 10.1021/jo9807114 |
| Molecular Weight | 893.039 g/mol |
| Sample ID | 26028 |
| Solvent | CD3OD |