| SpectraBase Compound ID | 1F7c9I9nFiw |
|---|---|
| InChI | InChI=1S/C30H42O9/c1-6-7-8-9-10-11-12-13-21(32)38-24-22-25-28(16-31,39-25)26(34)30(37)20(14-18(4)23(30)33)29(22,36)19(5)15-27(24,35)17(2)3/h10-14,19-20,22,24-26,31,34-37H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+/t19-,20+,22-,24-,25+,26-,27-,28+,29+,30-/m1/s1 |
| InChIKey | GTNHSMYOEDNTOZ-OIQONVGESA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C30H42O9 |
| Exact Mass | 546.282883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EKqU7TG49Kl |
|---|---|
| Name | VESICULOSIN |
| Compound Number | 111 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O9 |
| InChI | InChI=1S/C30H42O9/c1-6-7-8-9-10-11-12-13-21(32)38-24-22-25-28(16-31,39-25)26(34)30(37)20(14-18(4)23(30)33)29(22,36)19(5)15-27(24,35)17(2)3/h10-14,19-20,22,24-26,31,34-37H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+/t19-,20+,22-,24-,25+,26-,27-,28+,29+,30-/m1/s1 |
| InChIKey | GTNHSMYOEDNTOZ-OIQONVGESA-N |
| Literature Reference Author | H.B.WANG,L.P.LIU,X.Y.WANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,580(2013) |
| Literature Reference DOI | 10.1002/mrc.3978 |
| Molecular Weight | 546.658 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13562 |