Acalycixeniolide J

Acalycixeniolide J

Common Name: Acalycixeniolide J

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-14-7-5-8-15(2)18-13-23-19(21)17(16(18)11-10-14)9-6-12-20(3,4)22/h6-7,12,16-18,22H,2,5,8-11,13H2,1,3-4H3/b12-6+,14-7+/t16-,17+,18+/m1/s1

InChIKey: InChIKey=ZZTRCQYPYKJCGX-KFPUUFLVSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Rho, J.R., Oh, M.S., Jang, K.H., Cho, K.W., Shin, J. J Nat Prod (2001) 64, 540-3

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) 154.5
2 (CH) 51.1
3 (CH) 45.3
4 (CH2) 30.8
5 (CH2) 40.6
6 (C) 136.9
7 (CH) 125.1
8 (CH2) 26
9 (CH2) 36.6
10 (CH) 43.3
11 (CH2) 30.8
12 (CH) 124.3
13 (CH) 142.1
14 (C) 71.1
15 (CH3) 30.2
16 (CH3) 16.6
17 (C) 178.2
18 (CH2) 71.8
19 (CH2) 113
20 (CH3) 30