| SpectraBase Compound ID | F6CW4Fh1l4v |
|---|---|
| InChI | InChI=1S/C41H46O12/c1-20(2)22-8-10-24-12-26(48-36(24)42)18-40(5,46)34(32-16-28(38(44)47-7)30(14-22)50-32)52-39(45)29-17-33-35-41(6,53-35)19-27-13-25(37(43)49-27)11-9-23(21(3)4)15-31(29)51-33/h12-13,16-17,22-23,26-27,34-35,46H,1,3,8-11,14-15,18-19H2,2,4-7H3/t22-,23-,26-,27-,34?,35-,40-,41-/m0/s1 |
| InChIKey | PXSRHVFGTUUHDT-DSULQHAFSA-N |
| Mol Weight | 730.8 g/mol |
| Molecular Formula | C41H46O12 |
| Exact Mass | 730.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJlvbEE3HOB |
|---|---|
| Name | Methyl-mayotolide A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 730.298926909 u |
| Formula | C41H46O12 |
| InChI | InChI=1S/C41H46O12/c1-20(2)22-8-10-24-12-26(48-36(24)42)18-40(5,46)34(32-16-28(38(44)47-7)30(14-22)50-32)52-39(45)29-17-33-35-41(6,53-35)19-27-13-25(37(43)49-27)11-9-23(21(3)4)15-31(29)51-33/h12-13,16-17,22-23,26-27,34-35,46H,1,3,8-11,14-15,18-19H2,2,4-7H3/t22-,23-,26-,27-,34?,35-,40-,41-/m0/s1 |
| InChIKey | PXSRHVFGTUUHDT-DSULQHAFSA-N |
| Molecular Weight | 730.807 g/mol |
| SMILES | [C@]12([C@](C3=CC(C(OC4C5=CC(C(=O)OC)=C(O5)C[C@@](C(=C)C)(CCC5=C[C@](OC5=O)(C[C@@]4(O)C)[H])[H])=O)=C(O3)C[C@@](C(=C)C)(CCC3=C[C@](OC3=O)(C1)[H])[H])(O2)[H])C |