Spektraris NMR
Rabdoternin E
Common Name: Rabdoternin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O7/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,15+,16-,17+,19-,20-,21+/m0/s1
InChIKey: InChIKey=UHERRNNNKBWWKU-WALFAIENSA-N
Formula: C21H30O7
Molecular Weight: 394.459511
Exact Mass: 394.199153
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Takeda, Y., Takeda, K.I., Fujita, T., Sun, H.D., Minami, Y. Phytochemistry (1994) 35, 1513-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 74 |
| 2 (CH2) | 31.2 |
| 3 (CH2) | 40.5 |
| 4 (C) | 33 |
| 5 (CH) | 59 |
| 6 (CH) | 74.5 |
| 7 (C) | 100 |
| 8 (C) | 62.9 |
| 9 (CH) | 54.5 |
| 10 (C) | 45.3 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 30.7 |
| 13 (CH) | 43.3 |
| 14 (CH) | 72.8 |
| 15 (C) | 208.2 |
| 16 (C) | 153.2 |
| 17 (CH2) | 119.6 |
| 18 (CH3) | 35.8 |
| 19 (CH3) | 23 |
| 20 (CH) | 100.5 |
| 20a (CH3) | 56.4 |
