Spektraris NMR
Scabrolide B
Common Name: Scabrolide B
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/h6,9,11,13-16,23H,1,4-5,7H2,2-3H3/t9-,11+,13-,14+,15+,16?,19+/m1/s1
InChIKey: InChIKey=NBNQTBIRANPTTL-PEKOGDDSSA-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) | 38.9 |
| 2 (CH2) | 45 |
| 3 (C) | 202.2 |
| 4 (CH) | 130.5 |
| 5 (C) | 150.8 |
| 6 (C) | 202.5 |
| 7 (CH) | 62.4 |
| 8 (C) | 81.3 |
| 9 (CH2) | 47.4 |
| 10 (CH) | 79.5 |
| 11 (CH) | 45.3 |
| 12 (CH) | 45.3 |
| 13 (CH) | 41.6 |
| 14 (CH2) | 30.5 |
| 15 (C) | 146.4 |
| 16 (CH2) | 112.7 |
| 17 (CH3) | 21.8 |
| 18 (CH3) | 30 |
| 19 (C) | 175.9 |
