| SpectraBase Compound ID | 1QyBpIecOuD |
|---|---|
| InChI | InChI=1S/C32H54O6/c1-19(2)31(37,18-33)13-10-20(3)21-11-12-28(5)22-8-9-23-29(6,26(36)38-7)24(34)16-25(35)32(23)17-30(22,32)15-14-27(21,28)4/h19-25,33-35,37H,8-18H2,1-7H3/t20-,21-,22+,23?,24+,25+,27-,28+,29+,30+,31?,32-/m1/s1 |
| InChIKey | UBGDTYOHHHCOCZ-HMFUSJQOSA-N |
| Mol Weight | 534.8 g/mol |
| Molecular Formula | C32H54O6 |
| Exact Mass | 534.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUFLa2evTB2 |
|---|---|
| Name | CYClOTRICUSPIDOGENIN-A-METHYLESTER |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H54O6 |
| InChI | InChI=1S/C32H54O6/c1-19(2)31(37,18-33)13-10-20(3)21-11-12-28(5)22-8-9-23-29(6,26(36)38-7)24(34)16-25(35)32(23)17-30(22,32)15-14-27(21,28)4/h19-25,33-35,37H,8-18H2,1-7H3/t20-,21-,22+,23?,24+,25+,27-,28+,29+,30+,31?,32-/m1/s1 |
| InChIKey | UBGDTYOHHHCOCZ-HMFUSJQOSA-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 | 534.777 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC485 |