| SpectraBase Compound ID | 1vmaKlNW0JL |
|---|---|
| InChI | InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)/t18-,19-,20+,21?,22+,23+,24+,26-,27+,28+,29+,30?,31-/m1/s1 |
| InChIKey | CPHVNLRAJPTYSD-FQVPLBAPSA-N |
| Mol Weight | 536.8 g/mol |
| Molecular Formula | C31H52O7 |
| Exact Mass | 536.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5atLqaNbcst |
|---|---|
| Name | CYClOTRICUSPIDOGENIN-C;1-ALPHA,3-BETA,16-ALPHA,24-XI,31-PENTAHYDROXY-24-XI-METHYL-CYClOARTAN-28-OIC-ACID |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O7 |
| InChI | InChI=1S/C31H52O7/c1-17(2)30(38,16-32)10-9-18(3)24-19(33)14-27(5)20-7-8-21-28(6,25(36)37)22(34)13-23(35)31(21)15-29(20,31)12-11-26(24,27)4/h17-24,32-35,38H,7-16H2,1-6H3,(H,36,37)/t18-,19-,20+,21?,22+,23+,24+,26-,27+,28+,29+,30?,31-/m1/s1 |
| InChIKey | CPHVNLRAJPTYSD-FQVPLBAPSA-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 | 536.750 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC493 |