Common Name: Mulin-12-ene-14-one-20-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12(2)14-7-8-16-15-6-5-13(3)17(21)11-19(15,4)9-10-20(14,16)18(22)23/h5,12,14-16H,6-11H2,1-4H3,(H,22,23)/t14-,15+,16+,19+,20+/m1/s1
InChIKey: InChIKey=YKOPGLOIENSYPV-MWTROVGWSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chiaramello, A.I., Ardanaz, C.E., Garcia, E.E., Rossomando, P.C. Phytochemistry (2003) 63, 883-6
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)
Position | PPM |
---|---|
1 (CH2) | 24.8 |
2 (CH2) | 28.6 |
3 (CH) | 58.1 |
4 (CH) | 31.8 |
5 (C) | 57.2 |
6 (CH2) | 33.1 |
7 (CH2) | 40.3 |
8 (C) | 37.4 |
9 (CH) | 44.3 |
10 (CH) | 48.7 |
11 (CH2) | 28.2 |
12 (CH) | 135.2 |
13 (C) | 140.6 |
14 (C) | 206.1 |
15 (CH2) | 54.7 |
16 (CH3) | 19.5 |
17 (CH3) | 30.1 |
18 (CH3) | 22.6 |
19 (CH3) | 22.2 |
20 (C) | 180.3 |