| SpectraBase Compound ID | 1V21iRQroar |
|---|---|
| InChI | InChI=1S/C40H54O9/c1-14-15-16-17-20(41)23-28(42)24-21(18(2)3)26-31(43)36(6,7)34(45)38(10,11)33(26)48-29(24)25-22(19(4)5)27-32(44)37(8,9)35(46)39(12,13)40(27,47)49-30(23)25/h18-19,21-22,27,42,47H,14-17H2,1-13H3/t21-,22-,27-,40+/m1/s1 |
| InChIKey | VCHNRICAPWWRIS-SBMKCSHNSA-N |
| Mol Weight | 678.9 g/mol |
| Molecular Formula | C40H54O9 |
| Exact Mass | 678.376783 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IeidDtKsJYp |
|---|---|
| Name | MYRTUCOMMULONE_G |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54O9 |
| InChI | InChI=1S/C40H54O9/c1-14-15-16-17-20(41)23-28(42)24-21(18(2)3)26-31(43)36(6,7)34(45)38(10,11)33(26)48-29(24)25-22(19(4)5)27-32(44)37(8,9)35(46)39(12,13)40(27,47)49-30(23)25/h18-19,21-22,27,42,47H,14-17H2,1-13H3/t21-,22-,27-,40+/m1/s1 |
| InChIKey | VCHNRICAPWWRIS-SBMKCSHNSA-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 | 678.863 g/mol |
| Sample ID | 29042 |
| Solvent | C6D6 |