Spektraris NMR
Acetylation ofrabdoshikoccin B
Common Name: Acetylation ofrabdoshikoccin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-11-13-6-7-17(25)22(5)16(9-15(24)14(8-13)20(11)27)21(3,4)19(10-18(22)26)28-12(2)23/h8,13,15-16,18-19,24,26H,1,6-7,9-10H2,2-5H3/t13-,15-,16-,18+,19+,22-/m1/s1
InChIKey: InChIKey=SQKIJEMRJCDDMH-MMESEBFASA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Takeda, Y., Futatsuishi, Y., Matsumoto, T., Terada, H., Otsuka, H. Phytochemistry (1994) 35, 1289-91
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 67.5 |
| 2 (CH2) | 32 |
| 3 (CH) | 78.2 |
| 4 (C) | 38.4 |
| 5 (CH) | 38.4 |
| 6 (CH2) | 37.1 |
| 7 (CH) | 64 |
| 8 (C) | 147.1 |
| 9 (C) | 214.1 |
| 10 (C) | 59.4 |
| 11 (CH2) | 30.6 |
| 12 (CH2) | 26 |
| 13 (CH) | 42.7 |
| 14 (CH) | 159.5 |
| 15 (C) | 195.3 |
| 16 (C) | 147.1 |
| 17 (CH2) | 115.8 |
| 18 (CH3) | 27.7 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 11.8 |
| 3a (C) | 170 |
| 3b (CH3) | 20.8 |
