Spektraris NMR
Scutalbin A
Common Name: Scutalbin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-11-6-17(27-12(2)23)22-15(8-14(28-19(22)24)9-21(22)10-26-21)20(11,3)16-7-13-4-5-25-18(13)29-16/h4-5,11,13-19,24H,6-10H2,1-3H3/t11-,13-,14+,15-,16+,17+,18+,19+,20+,21+,22+/m1/s1
InChIKey: InChIKey=DQDNSXZRRDXRPS-YDXZMBICSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Piozzi, F., Rodriguez, B., delaTorre, M.C., Vassallo, N., Servettaz, O. Phytochemistry (1996) 42, 1059-64
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) | 28.8 |
| 2 (CH) | 66.6 |
| 3 (CH2) | 36.5 |
| 4 (C) | 60.6 |
| 5 (C) | 42.4 |
| 6 (CH) | 69.6 |
| 7 (CH2) | 32.2 |
| 8 (CH) | 35.4 |
| 9 (C) | 40.8 |
| 10 (CH) | 40.6 |
| 11 (CH) | 85.3 |
| 12 (CH2) | 32.7 |
| 13 (CH) | 45.5 |
| 14 (CH) | 101.9 |
| 15 (CH) | 146.5 |
| 16 (CH) | 108 |
| 17 (CH3) | 16.6 |
| 18 (CH2) | 49.5 |
| 19 (CH) | 92.9 |
| 20 (CH3) | 14 |
| 6a (C) | 169.1 |
| 6b (CH3) | 21.2 |
