Spektraris NMR
Scupolin G
Common Name: Scupolin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/c1-12(2)21(29)35-23-26-17(10-16(33-23)20(28)25(26)11-31-25)24(5,13(3)8-19(26)32-14(4)27)18-9-15-6-7-30-22(15)34-18/h12-13,15-20,22-23,28H,6-11H2,1-5H3/t13-,15-,16-,17-,18+,19+,20+,22+,23-,24+,25-,26+/m1/s1
InChIKey: InChIKey=JRFTYJRNDOQDQK-WEKLTNNRSA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
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) | 22.6 |
| 2 (CH) | 70.1 |
| 3 (CH) | 71 |
| 4 (C) | 65.8 |
| 5 (C) | 42.4 |
| 6 (CH) | 68.4 |
| 7 (CH2) | 33.4 |
| 8 (CH) | 35.4 |
| 9 (C) | 41.3 |
| 10 (CH) | 41 |
| 11 (CH) | 86.3 |
| 12 (CH2) | 32.6 |
| 13 (CH) | 41.9 |
| 14 (CH2) | 33.4 |
| 15 (CH2) | 68.2 |
| 16 (CH) | 108.2 |
| 17 (CH3) | 16.5 |
| 18 (CH2) | 44 |
| 19 (CH) | 91.1 |
| 20 (CH3) | 14.3 |
| 6a (C) | 169.9 |
| 6b (CH3) | 21.3 |
| 19a (C) | 175.3 |
| 19b (CH) | 34.2 |
| 19c (CH3) | 18.9 |
| 19ba (CH3) | 18.3 |
