Spektraris NMR
Scutefuterin B
Common Name: Scutefuterin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O9/c1-7-16(2)25(32)37-21-12-22-27(6,23-11-20-8-9-33-26(20)38-23)17(3)10-24(36-19(5)31)29(22,15-34-18(4)30)28(13-21)14-35-28/h8-9,16-17,20-24,26H,7,10-15H2,1-6H3/t16?,17-,20-,21+,22-,23+,24+,26+,27+,28+,29+/m1/s1
InChIKey: InChIKey=KELRNFSXNHLJGT-BUIPACDESA-N
Formula: C29H42O9
Molecular Weight: 534.639497
Exact Mass: 534.282883
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) | 27.3 |
| 2 (CH) | 70.2 |
| 3 (CH2) | 36.9 |
| 4 (C) | 61.4 |
| 5 (C) | 45.1 |
| 6 (CH) | 72.2 |
| 7 (CH2) | 33.3 |
| 8 (CH) | 36.4 |
| 9 (C) | 39.7 |
| 10 (CH) | 42.5 |
| 11 (CH) | 84.6 |
| 12 (CH2) | 30.8 |
| 13 (CH) | 46.1 |
| 14 (CH) | 101.8 |
| 15 (CH) | 146.9 |
| 16 (CH) | 107.6 |
| 17 (CH3) | 16.2 |
| 18 (CH2) | 49.7 |
| 19 (CH2) | 61.8 |
| 20 (CH3) | 13.9 |
| 2a (C) | 175.3 |
| 2b (CH) | 41.4 |
| 2c (CH2) | 26.7 |
| 2d (CH3) | 11.7 |
| 2ba (CH3) | 16.6 |
| 6a (C) | 170.6 |
| 6b (CH3) | 21.2 |
| 19a (C) | 170.1 |
| 19b (CH3) | 21.1 |
