Common Name: Euglobal-III
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O5/c1-15(2)11-17-20-8-7-16(3)12-22-21(27(22,4)5)9-10-28(20,6)33-26-19(14-30)24(31)18(13-29)25(32)23(17)26/h12-15,17,20-22,31-32H,7-11H2,1-6H3/b16-12+/t17-,20+,21+,22-,28-/m0/s1
InChIKey: InChIKey=AGTXIGWLMDUUMQ-CAWNTQMTSA-N
Formula: C28H38O5
Molecular Weight: 454.599378
Exact Mass: 454.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kozuka, M., Sawada, T., Mizuta, E., Kasahara, F., Amano, T., Komiya, T., Goto, M. Chem Pharm Bull (1982) 30, 1964-73
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Bicyclogermacranes; 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 (CH) | 39.5 |
2 (CH2) | 26.5 |
3 (CH2) | 39.6 |
4 (C) | 136 |
5 (CH) | 121.9 |
6 (CH) | 24.6 |
7 (CH) | 27.7 |
8 (CH2) | 19.2 |
9 (CH2) | 39.9 |
10 (C) | 88.8 |
11 (C) | 20.3 |
12 (CH3) | 15.1 |
13 (CH3) | 28.6 |
14 (CH3) | 26.1 |
15 (CH3) | 16.8 |
1' (C) | 109.6 |
2' (C) | 164.4 |
3' (C) | 104 |
4' (C) | 167.2 |
5' (C) | 103.5 |
6' (C) | 167.9 |
7' (CH) | 30.3 |
8' (CH) | 191.6 |
9' (CH) | 191.3 |
10' (CH2) | 42.3 |
11' (CH) | 26.2 |
12' (CH3) | 21 |
13' (CH3) | 24.6 |