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)
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 |