Spektraris NMR
Lansionic acid
Common Name: Lansionic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-19(2)22-11-9-20(3)23(29(22,7)18-16-27(32)33)12-13-24-21(4)10-14-25-28(5,6)26(31)15-17-30(24,25)8/h9,22-25H,1,4,10-18H2,2-3,5-8H3,(H,32,33)/t22-,23-,24-,25-,29-,30+/m0/s1
InChIKey: InChIKey=ZBUMNLRXRGVNIJ-OLUUQECQSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, T., Ishibashi, M., Fujimoto, H., Okuyama, E., Koyano, T., Kowithayakorn, T., Hayashi, M., Komiyama, K. J Nat Prod (2002) 65, 1709-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Onoceranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 37.6 |
| 2 (CH2) | 34.7 |
| 3 (C) | 217.2 |
| 4 (C) | 47.8 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 25.1 |
| 7 (CH2) | 37.8 |
| 8 (C) | 147.5 |
| 9 (CH) | 57.5 |
| 10 (C) | 39.3 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 48.3 |
| 14 (C) | 135.8 |
| 15 (CH) | 121.8 |
| 16 (CH2) | 29.4 |
| 17 (CH) | 49.2 |
| 18 (C) | 38.7 |
| 19 (CH2) | 32.6 |
| 20 (CH2) | 28.6 |
| 21 (C) | 178 |
| 22 (C) | 147.6 |
| 23 (CH3) | 25.9 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 14.1 |
| 26 (CH2) | 107.6 |
| 27 (CH3) | 22.9 |
| 28 (CH3) | 16.3 |
| 29 (CH2) | 114 |
| 30 (CH3) | 22.8 |
