| SpectraBase Compound ID | CeqrhOwRVgp |
|---|---|
| InChI | InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20?,22-,25-,26+,27-,28+,31-,32-,33+/m1/s1 |
| InChIKey | ZCMJUAGNOJTZBJ-MJWPTZKTSA-N |
| Mol Weight | 528.8 g/mol |
| Molecular Formula | C33H52O5 |
| Exact Mass | 528.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7anJuzb4uwS |
|---|---|
| Name | TSUGARIC-ACID-B;3-ALPHA-ACETOXY-16-ALPHA-HYDROXY-24-XI-METHYL-5-ALPHA-LANOSTA-8,25-DIEN-21-OIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O5 |
| InChI | InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20?,22-,25-,26+,27-,28+,31-,32-,33+/m1/s1 |
| InChIKey | ZCMJUAGNOJTZBJ-MJWPTZKTSA-N |
| Literature Reference Author | C.N.LIN,Y.F.FANN,M.I.CHUNG |
| Literature Reference Citation | PHYTOCHEM.,46,1143(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00387-7 |
| Molecular Weight | 528.773 g/mol |
| Sample ID | 65407 |
| Solvent | CDCl3:CD3OD |