| SpectraBase Compound ID | 745hLAgZVIE |
|---|---|
| InChI | InChI=1S/C30H44O7/c1-15(2)16-9-12-29(24(34)35)13-14-30(25(36)37)17(20(16)29)7-8-19-27(30,5)11-10-18-26(3,4)22(31)21(23(32)33)28(18,19)6/h16-22,31H,1,7-14H2,2-6H3,(H,32,33)(H,34,35)(H,36,37)/t16-,17+,18-,19-,20+,21+,22-,27+,28-,29-,30+/m0/s1 |
| InChIKey | BAXRQVCGTADURA-LVEYDJFSSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C30H44O7 |
| Exact Mass | 516.308704 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0AJxqiGgMS |
|---|---|
| Name | CEANOTHETRIC-ACID;2-ALPHA-CARBOXY-3-BETA-HYDROXY-A(1)-NORLUP-20(29)-EN-27,28-DIOIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O7 |
| InChI | InChI=1S/C30H44O7/c1-15(2)16-9-12-29(24(34)35)13-14-30(25(36)37)17(20(16)29)7-8-19-27(30,5)11-10-18-26(3,4)22(31)21(23(32)33)28(18,19)6/h16-22,31H,1,7-14H2,2-6H3,(H,32,33)(H,34,35)(H,36,37)/t16-,17+,18-,19-,20+,21+,22-,27+,28-,29-,30+/m0/s1 |
| InChIKey | BAXRQVCGTADURA-LVEYDJFSSA-N |
| Literature Reference Author | X.C.LI,L.CAI,C.D.WU |
| Literature Reference Citation | PHYTOCHEM.,46,97(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00222-7 |
| Molecular Weight | 516.675 g/mol |
| Sample ID | 44795 |
| Solvent | C5D5N |