11,12-epoxy-mulin-13-en,20-oic acid

11,12-epoxy-mulin-13-en,20-oic acid

Common Name: 11,12-epoxy-mulin-13-en,20-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-11(2)13-5-6-14-15-17-16(23-17)12(3)7-8-19(15,4)9-10-20(13,14)18(21)22/h7,11,13-17H,5-6,8-10H2,1-4H3,(H,21,22)/t13-,14+,15-,16-,17+,19-,20+/m1/s1

InChIKey: InChIKey=OUAQWGIMNHEJTJ-XTPUORJOSA-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., 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) 25.6
2 (CH2) 28.2
3 (CH) 58
4 (CH) 31.5
5 (C) 56.2
6 (CH2) 37.5
7 (CH2) 33.2
8 (C) 43.6
9 (CH) 46.8
10 (CH) 51
11 (CH) 48.7
12 (CH) 51
13 (C) 149.3
14 (CH) 135.2
15 (CH2) 34.4
16 (CH3) 14.9
17 (CH3) 32.8
18 (CH3) 22.6
19 (CH3) 22.5
20 (C) 181.5