| SpectraBase Compound ID | ILUM9X1j5wE |
|---|---|
| InChI | InChI=1S/C47H72O14/c1-28-15-17-34-44(3,4)19-13-21-46(34,6)32(28)25-60-39(43(53)58-12)31(24-37(49)55-9)41(51)61-27-45(5)20-14-22-47(7)33(29(2)16-18-35(45)47)26-59-38(42(52)57-11)30(40(50)56-10)23-36(48)54-8/h30-35,38-39H,1-2,13-27H2,3-12H3/t30-,31+,32+,33+,34?,35?,38+,39+,45+,46-,47-/m0/s1 |
| InChIKey | MZJAHEKMIVYFPF-FHRPBFHOSA-N |
| Mol Weight | 861.1 g/mol |
| Molecular Formula | C47H72O14 |
| Exact Mass | 860.492207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85o0NaMrsVl |
|---|---|
| Name | CRYPTOPORIC-ACID-C-PENTAMETHYLESTER;CA-C-PENTAMETHYLESTER |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O14 |
| InChI | InChI=1S/C47H72O14/c1-28-15-17-34-44(3,4)19-13-21-46(34,6)32(28)25-60-39(43(53)58-12)31(24-37(49)55-9)41(51)61-27-45(5)20-14-22-47(7)33(29(2)16-18-35(45)47)26-59-38(42(52)57-11)30(40(50)56-10)23-36(48)54-8/h30-35,38-39H,1-2,13-27H2,3-12H3/t30-,31+,32+,33+,34?,35?,38+,39+,45+,46-,47-/m0/s1 |
| InChIKey | MZJAHEKMIVYFPF-FHRPBFHOSA-N |
| Literature Reference Author | Y.ASAKAWA,T.HASHIMOTO,Y.MIZUNO,M.TORI,Y.FUKAZAWA |
| Literature Reference Citation | PHYTOCHEM.,31,579(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)90042-O |
| Molecular Weight | 861.080 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6108 |