Acetylated vibralactone

Acetylated vibralactone

Common Name: Acetylated vibralactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C14H18O4/c1-9(2)4-5-14-7-11(8-17-10(3)15)6-12(14)18-13(14)16/h4,7,12H,5-6,8H2,1-3H3/t12-,14+/m0/s1

InChIKey: InChIKey=JPFWXYHSHUIUDU-GXTWGEPZSA-N

Formula: C14H18O4

Molecular Weight: 250.290856

Exact Mass: 250.120509

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jiang, M.Y., Wang, F., Yang, X.L., Fang, L.Z., Dong, Z.J., Zhu, H.J., Liu, J.K. Chem Pharm Bull (2008) 56, 1286-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Vibralactones; 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) 75.4
2 (CH) 125.1
3 (C) 141.3
4 (CH2) 37.7
5 (CH) 78.2
7 (C) 172.4
8 (CH2) 27.5
9 (CH) 117.1
10 (C) 136.2
11 (CH3) 18
12 (CH3) 25.8
13 (CH2) 62
13a (C) 170.5
13b (CH3) 20.8