| SpectraBase Compound ID | LKMumi39EKh |
|---|---|
| InChI | InChI=1S/C32H54O7/c1-18(2)31(38,17-33)11-10-19(3)25-20(34)15-28(5)21-8-9-22-29(6,26(37)39-7)23(35)14-24(36)32(22)16-30(21,32)13-12-27(25,28)4/h18-25,33-36,38H,8-17H2,1-7H3/t19-,20+,21+,22?,23+,24+,25+,27-,28+,29+,30+,31?,32-/m1/s1 |
| InChIKey | AQYGXSBCJRPCFF-HNYJSIMQSA-N |
| Mol Weight | 550.8 g/mol |
| Molecular Formula | C32H54O7 |
| Exact Mass | 550.386954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1URvkAvOLyI |
|---|---|
| Name | CYClOTRICUSPIDOGENIN-B-METHYLESTER |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H54O7 |
| InChI | InChI=1S/C32H54O7/c1-18(2)31(38,17-33)11-10-19(3)25-20(34)15-28(5)21-8-9-22-29(6,26(37)39-7)23(35)14-24(36)32(22)16-30(21,32)13-12-27(25,28)4/h18-25,33-36,38H,8-17H2,1-7H3/t19-,20+,21+,22?,23+,24+,25+,27-,28+,29+,30+,31?,32-/m1/s1 |
| InChIKey | AQYGXSBCJRPCFF-HNYJSIMQSA-N |
| Literature Reference Author | R.KASAI,A.SASAKI,T.HASHIMOTO,T.KANEKO,K.OHTANI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,51,803(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00078-3 |
| Molecular Weight | 550.777 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC490 |