Spektraris NMR
Scupolin H
Common Name: Scupolin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O7/c1-12-7-18(28-13(2)24)23-16(9-15(29-20(23)25-4)10-22(23)11-27-22)21(12,3)17-8-14-5-6-26-19(14)30-17/h5-6,12,14-20H,7-11H2,1-4H3/t12-,14-,15-,16-,17+,18+,19+,20+,21+,22+,23+/m1/s1
InChIKey: InChIKey=CYPQMJCIYPVOPW-VYTAJXQXSA-N
Formula: C23H32O7
Molecular Weight: 420.496864
Exact Mass: 420.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de la Torre, M.C., Rodriguez, B., Bruno, M., Vassallo, N., Bondi, M.L., Piozzi, F., Servettaz, O. J Nat Prod (1997) 60, 1229-35
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) | 29 |
| 2 (CH) | 66.7 |
| 3 (CH2) | 37 |
| 4 (C) | 60.8 |
| 5 (C) | 42.7 |
| 6 (CH) | 68.2 |
| 7 (CH2) | 33.6 |
| 8 (CH) | 35.7 |
| 9 (C) | 41 |
| 10 (CH) | 41.3 |
| 11 (CH) | 85.6 |
| 12 (CH2) | 32.3 |
| 13 (CH) | 45.7 |
| 14 (CH) | 102 |
| 15 (CH) | 146.7 |
| 16 (CH) | 108.2 |
| 17 (CH3) | 16.7 |
| 18 (CH2) | 49.8 |
| 19 (CH) | 100.3 |
| 20 (CH3) | 14.1 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.2 |
| 19a (CH3) | 55 |
