(8E,13Z,18R,20Z)-Strobilinin acetate

(8E,13Z,18R,20Z)-Strobilinin acetate

Common Name: (8E,13Z,18R,20Z)-Strobilinin acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H36O5/c1-19(9-6-10-20(2)12-8-14-24-15-16-30-18-24)11-7-13-21(3)17-25-26(31-23(5)28)22(4)27(29)32-25/h10-11,15-18,21H,6-9,12-14H2,1-5H3/b19-11-,20-10+,25-17-/t21-/m1/s1

InChIKey: InChIKey=CEERGVZXRWIDAD-BJCOZEAZSA-N

Formula: C27H36O5

Molecular Weight: 440.572761

Exact Mass: 440.256274

NMR Solvent: C+C

MHz:

Calibration:

NMR references: 13C - Martinez, A., Duque, C., Sato, N., Fujimoto, Y. Chem Pharm Bull (1997) 45, 181-4

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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 (CH) 142.54
2 (CH) 110.99
3 (C) 125.1
4 (CH) 138.72
5 (CH2) 24.22
6 (CH2) 28.12
7 (CH2) 39.13
8 (C) 134.79
9 (CH3) 15.79
10 (CH) 124.37
11 (CH2) 26.42
12 (CH2) 31.81
13 (C) 135.56
14 (CH3) 23.36
15 (CH) 124.55
16 (CH2) 25.74
17 (CH2) 37.39
18 (CH) 30.88
19 (CH3) 20.49
20 (CH) 116.48
21 (C) 142.36
22 (C) 154.27
23 (C) 114.66
24 (C) 168.62
25 (CH3) 8.35
22a (C) 165.35
22b (CH3) 20.42