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

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

Common Name: (8Z,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-VQNDRAGGSA-N

Formula: C27H36O5

Molecular Weight: 440.572761

Exact Mass: 440.256274

NMR Solvent: CDCl3

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) 142.62
2 (CH) 110.89
3 (C) 125.02
4 (CH) 138.7
5 (CH2) 24.61
6 (CH2) 28.28
7 (CH2) 31.32
8 (C) 134.99
9 (CH3) 23.34
10 (CH) 125.15
11 (CH2) 26.27
12 (CH2) 32.07
13 (C) 135.45
14 (CH3) 23.34
15 (CH) 124.59
16 (CH2) 25.72
17 (CH2) 37.37
18 (CH) 30.86
19 (CH3) 20.47
20 (CH) 116.47
21 (C) 142.36
22 (C) 154.25
23 (C) 114.67
24 (C) 168.62
25 (CH3) 8.37
22a (C) 165.37
22b (CH3) 20.42