| SpectraBase Compound ID | J9ixlrEJ4xG |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24-,27+,28+,29-,30-/m0/s1 |
| InChIKey | RKMUCNGZSACLLA-KAVLTQCNSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTu3AN7L3QD |
|---|---|
| Name | CEANOTHANOLIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24-,27+,28+,29-,30-/m0/s1 |
| InChIKey | RKMUCNGZSACLLA-KAVLTQCNSA-N |
| Literature Reference Author | S.S.LEE,S.N.SHY,K.C.S.LIU |
| Literature Reference Citation | PHYTOCHEM.,46,549(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00313-0 |
| Molecular Weight | 472.709 g/mol |
| Sample ID | 45444 |
| Solvent | C5D5N |