Common Name: Pacificin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-17(2,21)8-6-9-18(3)11-12-20(5)16(23-20)7-10-19(4,22)15-13-14(15)18/h6,8,14-16,21-22H,7,9-13H2,1-5H3/b8-6+/t14-,15-,16-,18-,19-,20-/m0/s1
InChIKey: InChIKey=SNGHBZRZTFPMAP-IMMUYQCLSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Gamal, A.A., Wang, S.K., Dai, C.F., Chen, I.G., Duh, C.Y. J Nat Prod (2005) 68, 74-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Prenylbiclyclogermacranes; 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 (CH3) | 30 |
2 (C) | 70.9 |
3 (CH) | 141.3 |
4 (CH) | 122.3 |
5 (CH2) | 48.1 |
6 (C) | 35.3 |
7 (CH2) | 36.5 |
8 (CH2) | 35.5 |
9 (C) | 62 |
10 (CH) | 66.4 |
11 (CH2) | 24.5 |
12 (CH2) | 41.8 |
13 (C) | 73 |
14 (CH) | 28.9 |
15 (CH2) | 3.9 |
16 (CH) | 27 |
17 (CH3) | 30 |
18 (CH3) | 19.3 |
19 (CH3) | 17.1 |
20 (CH3) | 20.5 |