Spektraris NMR
Scuteluterin C
Common Name: Scuteluterin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O10/c1-7-15(2)25(33)37-20-11-21-27(6,22-9-19-10-24(32)39-26(19)38-22)16(3)8-23(36-18(5)31)29(21,14-34-17(4)30)28(12-20)13-35-28/h15-16,19-23,26H,7-14H2,1-6H3/t15?,16-,19+,20+,21-,22+,23+,26-,27+,28+,29+/m1/s1
InChIKey: InChIKey=MQPUQXNNWKFZNE-WIVFZJOKSA-N
Formula: C29H42O10
Molecular Weight: 550.638902
Exact Mass: 550.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Cruciata, M., Bondi, M.L., Piozzi, F., de la Torre, M.C., Rodriguez, B., Servettaz, O. Phytochemistry (1998) 48, 687-91
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 21.2 |
| 2 (CH) | 70.3 |
| 3 (CH2) | 36.8 |
| 4 (C) | 61.3 |
| 5 (C) | 45 |
| 6 (CH) | 71.9 |
| 7 (CH2) | 33.2 |
| 8 (CH) | 36.2 |
| 9 (C) | 39.9 |
| 10 (CH) | 42 |
| 11 (CH) | 84.3 |
| 12 (CH2) | 31.9 |
| 13 (CH) | 37.9 |
| 14 (CH2) | 35 |
| 15 (C) | 174.8 |
| 16 (CH) | 106.4 |
| 17 (CH3) | 16.2 |
| 18 (CH2) | 49.6 |
| 19 (CH2) | 61.7 |
| 20 (CH3) | 13.7 |
| 2a (C) | 175.3 |
| 2b (CH) | 41.3 |
| 2c (CH2) | 26.6 |
| 2d (CH3) | 11.6 |
| 2ba (CH3) | 16.5 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21 |
| 19a (C) | 169.9 |
| 19b (CH3) | 21 |
