Pacificin B

Pacificin B

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)

Carbon NMR Peaks

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