Spektraris NMR
Mulinenic
Common Name: Mulinenic
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13(2)14-4-5-16-15-6-7-18(3)8-9-19(15,12-23-18)10-11-20(14,16)17(21)22/h6-7,13-16H,4-5,8-12H2,1-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20+/m1/s1
InChIKey: InChIKey=QUIYFMAFJIAUMA-PCMNTEJDSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Loyola, L.A., Borquez, J., Morales, G., SanMartin, A. Phytochemistry (1996) 43, 165-8
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) | 25 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 57.7 |
| 4 (CH) | 31.6 |
| 5 (C) | 57 |
| 6 (CH2) | 32 |
| 7 (CH2) | 35.8 |
| 8 (C) | 36.9 |
| 9 (CH) | 50.2 |
| 10 (CH) | 50.1 |
| 11 (CH) | 131.9 |
| 12 (CH) | 136.6 |
| 13 (C) | 71.1 |
| 14 (CH2) | 33.2 |
| 15 (CH2) | 25.9 |
| 16 (CH3) | 29.1 |
| 17 (CH2) | 74.8 |
| 18 (CH3) | 22.7 |
| 19 (CH3) | 22.4 |
| 20 (C) | 179.4 |
