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)
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 |