Mulin-12-ene-14-one-20-oic acid

Mulin-12-ene-14-one-20-oic acid

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)

Carbon NMR Peaks

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