Spektraris NMR
14-Dihydroxymulin-11-en-20-oic acid
Common Name: 14-Dihydroxymulin-11-en-20-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-12(2)13-5-6-15-14-7-8-19(4,24)16(21)11-18(14,3)9-10-20(13,15)17(22)23/h7-8,12-16,21,24H,5-6,9-11H2,1-4H3,(H,22,23)/t13-,14+,15+,16-,18+,19+,20+/m1/s1
InChIKey: InChIKey=VCHZZEWOPLDLLE-DXGFZXISSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Loyola, L.A., Borquez, J., Morales, G., San-Martin, A., Darias, J., Flores, N., Gimenez, A. Phytochemistry (2004) 65, 1931-5
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) | 29.7 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 57.5 |
| 4 (CH) | 32.4 |
| 5 (C) | 58.4 |
| 6 (CH2) | 33.3 |
| 7 (CH2) | 43.2 |
| 8 (C) | 36.6 |
| 9 (CH) | 47.6 |
| 10 (CH) | 51.1 |
| 11 (CH) | 134.2 |
| 12 (CH) | 135.3 |
| 13 (C) | 72.8 |
| 14 (CH) | 72.4 |
| 15 (CH2) | 41.6 |
| 16 (CH3) | 30.6 |
| 17 (CH3) | 28.3 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 22.8 |
| 20 (C) | 177.1 |
