| SpectraBase Compound ID | 9687iqa4k7I |
|---|---|
| InChI | InChI=1S/C43H52N4O5/c1-22(48)30-19-51-20-31-25(30)14-38-42-29(17-35(31)44(38)3)27-12-23(40(50-7)18-37(27)47(42)6)13-33-26-15-39-41-28(24-10-8-9-11-34(24)46(41)5)16-36(45(39)4)32(26)21-52-43(33,2)49/h8-12,18-19,25-26,31-33,35-36,38-39,49H,13-17,20-21H2,1-7H3/t25-,26+,31+,32+,33+,35-,36-,38-,39-,43-/m0/s1 |
| InChIKey | JGXFRVOHTXTCCH-ODTJQGTCSA-N |
| Mol Weight | 704.9 g/mol |
| Molecular Formula | C43H52N4O5 |
| Exact Mass | 704.393771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kdo54bBsico |
|---|---|
| Name | MACRALSTONINE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H52N4O5 |
| InChI | InChI=1S/C43H52N4O5/c1-22(48)30-19-51-20-31-25(30)14-38-42-29(17-35(31)44(38)3)27-12-23(40(50-7)18-37(27)47(42)6)13-33-26-15-39-41-28(24-10-8-9-11-34(24)46(41)5)16-36(45(39)4)32(26)21-52-43(33,2)49/h8-12,18-19,25-26,31-33,35-36,38-39,49H,13-17,20-21H2,1-7H3/t25-,26+,31+,32+,33+,35-,36-,38-,39-,43-/m0/s1 |
| InChIKey | JGXFRVOHTXTCCH-ODTJQGTCSA-N |
| Literature Reference Author | S.H.LIM,Y.Y.LOW,S.J.TAN,K.H.LIM,N.F.THOMAS,T.S.KAM |
| Literature Reference Citation | J.NAT.PROD.,75,942(2012) |
| Literature Reference DOI | 10.1021/np300120p |
| Molecular Weight | 704.910 g/mol |
| Sample ID | 40453 |
| Solvent | CDCl3 |