Spektraris NMR
Isomulinic acid
Common Name: Isomulinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-10(2)11-5-6-12-14-15-16(23-15)19(4)13(24-19)9-18(14,3)7-8-20(11,12)17(21)22/h10-16H,5-9H2,1-4H3,(H,21,22)/t11-,12+,13-,14-,15+,16+,18+,19-,20+/m1/s1
InChIKey: InChIKey=OCOGIPCCVKOXOH-LYRLFLBRSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Loyola, L.A., Borquez, J., Morales, G., San-Martin, A. Phytochemistry (1998) 49, 1091-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Mulinanes; 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) | 24.2 |
| 2 (CH2) | 28.4 |
| 3 (CH) | 57.3 |
| 4 (CH) | 31.7 |
| 5 (C) | 57.5 |
| 6 (CH2) | 43.1 |
| 7 (CH2) | 32.5 |
| 8 (C) | 33.7 |
| 9 (CH) | 45.6 |
| 10 (CH) | 48.8 |
| 11 (CH) | 59.1 |
| 12 (CH) | 60.2 |
| 13 (C) | 56 |
| 14 (CH) | 60.5 |
| 15 (CH2) | 32.5 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 27.7 |
| 18 (CH3) | 22.6 |
| 19 (CH3) | 22.4 |
| 20 (C) | 179.9 |
