Spektraris NMR
Scutalbin C
Common Name: Scutalbin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O8/c1-10-4-16(27-11(2)23)22-14(7-13(28-19(22)25)8-21(22)9-26-21)20(10,3)15-5-12-6-17(24)30-18(12)29-15/h10,12-19,24-25H,4-9H2,1-3H3/t10-,12+,13+,14-,15+,16+,17-,18-,19?,20+,21+,22+/m1/s1
InChIKey: InChIKey=VNNHJRDFAKPJHC-IYGQXUQNSA-N
Formula: C22H32O8
Molecular Weight: 424.485533
Exact Mass: 424.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Vassallo, N., Simmonds, M.S.J. Phytochemistry (1999) 50, 973-6
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) | 28.9 |
| 2 (CH) | 66.8 |
| 3 (CH2) | 36.7 |
| 4 (C) | 60.8 |
| 5 (C) | 42.5 |
| 6 (CH) | 69.8 |
| 7 (CH2) | 32.8 |
| 8 (CH) | 35.3 |
| 9 (C) | 41 |
| 10 (CH) | 40.7 |
| 11 (CH) | 84.4 |
| 12 (CH2) | 33 |
| 13 (CH) | 39.7 |
| 14 (CH2) | 38.8 |
| 15 (CH) | 98.7 |
| 16 (CH) | 107.9 |
| 17 (CH3) | 16.7 |
| 18 (CH2) | 49.6 |
| 19 (CH) | 93.1 |
| 20 (CH3) | 14 |
| 6a (C) | 169.3 |
| 6b (CH3) | 21.4 |
