| SpectraBase Compound ID | Kaa97yZqB14 |
|---|---|
| InChI | InChI=1S/C41H56O9/c1-14-15-16-17-22(42)26-29(43)24-21(18-19(2)3)25-32(44)37(6,7)35(46)39(10,11)34(25)49-30(24)27-23(20(4)5)28-33(45)38(8,9)36(47)40(12,13)41(28,48)50-31(26)27/h19-21,23,28,43,48H,14-18H2,1-13H3/t21-,23-,28-,41+/m1/s1 |
| InChIKey | LLXUVPHCMSRQLV-LQIKSDHHSA-N |
| Mol Weight | 692.9 g/mol |
| Molecular Formula | C41H56O9 |
| Exact Mass | 692.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFVutIhnVrU |
|---|---|
| Name | MYRTUCOMMULONE_I |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H56O9 |
| InChI | InChI=1S/C41H56O9/c1-14-15-16-17-22(42)26-29(43)24-21(18-19(2)3)25-32(44)37(6,7)35(46)39(10,11)34(25)49-30(24)27-23(20(4)5)28-33(45)38(8,9)36(47)40(12,13)41(28,48)50-31(26)27/h19-21,23,28,43,48H,14-18H2,1-13H3/t21-,23-,28-,41+/m1/s1 |
| InChIKey | LLXUVPHCMSRQLV-LQIKSDHHSA-N |
| Literature Reference Author | A.R.CARROLL,J.LAMB,R.MONI,G.P.GUYMER,P.I.FORSTER,R.J.QUINN |
| Literature Reference Citation | J.NAT.PROD.,71,1564(2008) |
| Literature Reference DOI | 10.1021/np800247u |
| Molecular Weight | 692.890 g/mol |
| Sample ID | 29043 |
| Solvent | C6D6 |