Spektraris NMR
Nomolicinoic acid
Common Name: Nomolicinoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O6/c1-14(27)32-21-13-18-23(2,3)20(29)8-10-25(18,5)17-7-9-24(4)15(11-22(30)31)16(28)12-19(24)26(17,21)6/h8,10,12,15,17-18,21H,7,9,11,13H2,1-6H3,(H,30,31)/t15-,17-,18+,21-,24+,25-,26-/m1/s1
InChIKey: InChIKey=XJVLUCNCIAUVIT-IXLKXQKHSA-N
Formula: C26H34O6
Molecular Weight: 442.545549
Exact Mass: 442.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, S., Mahmood, T., Faizi, S., Siddiqui, B. J Chem Soc, Perkin Trans 1 (1987) 0, 1429
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Apoeuphanes; 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 (CH) | 156.4 |
| 2 (CH) | 126 |
| 3 (C) | 203.5 |
| 4 (C) | 44.1 |
| 5 (CH) | 38.1 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 74 |
| 8 (C) | 44.9 |
| 9 (CH) | 46.3 |
| 10 (C) | 40 |
| 11 (CH2) | 15.7 |
| 12 (CH2) | 30.5 |
| 13 (C) | 47.2 |
| 14 (C) | 194.5 |
| 15 (CH) | 122.8 |
| 16 (C) | 207.2 |
| 17 (CH) | 58.7 |
| 18 (CH3) | 25.1 |
| 19 (CH3) | 19 |
| 20 (CH2) | 30.2 |
| 21 (C) | 174.4 |
| 28 (CH3) | 21.2 |
| 29 (CH3) | 26.3 |
| 30 (CH3) | 27 |
| 7a (C) | 169.5 |
| 7b (CH3) | 20.9 |
