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)
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 |