Spektraris NMR
Scabrolide C
Common Name: Scabrolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-11(2)12-5-13(21)7-18-16(22)10-20(3,26-18)9-14-8-15(19(23)25-14)17(6-12)24-4/h8,12,14,17-18H,1,5-7,9-10H2,2-4H3/t12-,14+,17-,18+,20+/m1/s1
InChIKey: InChIKey=ZLDOSIVXLFPCIZ-JGVCLGMGSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Ahmed, A.F., Shiue, R.T., Dai, C.F., Kuo, Y.H. J Nat Prod (2002) 65, 1904-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 36.9 |
| 2 (CH2) | 50.4 |
| 3 (C) | 207.7 |
| 4 (CH2) | 44.2 |
| 5 (CH) | 77.9 |
| 6 (C) | 212.4 |
| 7 (CH2) | 51.1 |
| 8 (C) | 79.5 |
| 9 (CH2) | 42.1 |
| 10 (CH) | 79.4 |
| 11 (CH) | 154.9 |
| 12 (C) | 132 |
| 13 (CH) | 71.3 |
| 14 (CH2) | 35.9 |
| 15 (C) | 145.4 |
| 16 (CH2) | 112.9 |
| 17 (CH3) | 18.6 |
| 19 (CH3) | 27.9 |
| 20 (C) | 178.5 |
| 13a (CH3) | 56.7 |
