Spektraris NMR
Scabrolide A
Common Name: Scabrolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H22O5/c1-8(2)9-4-10(20)6-12-11(5-9)14-15-13(24-18(14)22)7-19(3,23)16(15)17(12)21/h9,13-16,23H,1,4-7H2,2-3H3/t9-,13-,14+,15+,16?,19+/m1/s1
InChIKey: InChIKey=IIISAONBGZMBOM-URLPCWGCSA-N
Formula: C19H22O5
Molecular Weight: 330.375703
Exact Mass: 330.146724
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) | 41.6 |
| 2 (CH2) | 46.3 |
| 3 (C) | 208.3 |
| 4 (CH2) | 39.5 |
| 5 (C) | 132.7 |
| 6 (C) | 193.1 |
| 7 (CH) | 54.5 |
| 8 (C) | 82.9 |
| 9 (CH2) | 47.4 |
| 10 (CH) | 82.2 |
| 11 (CH) | 40.9 |
| 12 (CH) | 44.6 |
| 13 (C) | 151.7 |
| 14 (CH2) | 37.2 |
| 15 (C) | 147.1 |
| 16 (CH2) | 110.8 |
| 17 (CH3) | 21.3 |
| 18 (CH3) | 26.1 |
| 19 (C) | 173.7 |
