Spektraris NMR
Scupolin K
Common Name: Scupolin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O10/c1-11(2)21(30)36-23-26-16(9-15(33-23)20(29)25(26)10-31-25)24(5,12(3)6-18(26)32-13(4)27)17-7-14-8-19(28)35-22(14)34-17/h11-12,14-20,22-23,28-29H,6-10H2,1-5H3/t12-,14+,15+,16-,17+,18+,19-,20+,22-,23?,24+,25-,26+/m1/s1
InChIKey: InChIKey=AREAOTLOVQBBIQ-LVNGSXDOSA-N
Formula: C26H38O10
Molecular Weight: 510.574931
Exact Mass: 510.246497
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Bondi, M.L., Rosselli, S., Piozzi, F., Servettaz, O. J Nat Prod (2000) 63, 1032-4
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) | 65.7 |
| 5 (C) | 42.3 |
| 6 (CH) | 68.4 |
| 7 (CH2) | 33.4 |
| 8 (CH) | 35.6 |
| 9 (C) | 41.2 |
| 10 (CH) | 41 |
| 11 (CH) | 84.6 |
| 12 (CH2) | 32.8 |
| 13 (CH) | 39.9 |
| 14 (CH2) | 38.8 |
| 15 (CH) | 98.7 |
| 16 (CH) | 107.9 |
| 17 (CH3) | 16.5 |
| 18 (CH2) | 44 |
| 19 (CH) | 91.1 |
| 20 (CH3) | 14.4 |
| 6a (C) | 169.9 |
| 6b (CH3) | 21.3 |
| 19a (C) | 175.3 |
| 19b (CH) | 34.2 |
| 19c (CH3) | 18.3 |
| 19ba (CH3) | 18.9 |
