Spektraris NMR
Rabdoshikoccin A
Common Name: Rabdoshikoccin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-11-12-5-6-17(23)20(4)8-7-16(22)19(2,3)15(20)10-14(21)13(9-12)18(11)24/h9,12,14-16,21-22H,1,5-8,10H2,2-4H3/t12-,14-,15-,16-,20-/m1/s1
InChIKey: InChIKey=JFDNAIABPJTBSM-YJJXHOGASA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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 (CH2) | 32.3 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 77.2 |
| 4 (C) | 41.5 |
| 5 (CH) | 42.6 |
| 6 (CH2) | 37.6 |
| 7 (CH) | 64.1 |
| 8 (C) | 147.1 |
| 9 (C) | 214.6 |
| 10 (C) | 53.7 |
| 11 (CH2) | 31.1 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 43.9 |
| 14 (CH) | 159.5 |
| 15 (C) | 195.3 |
| 16 (C) | 147.1 |
| 17 (CH2) | 116 |
| 18 (CH3) | 29 |
| 19 (CH3) | 17.2 |
| 20 (CH3) | 16.8 |
