Spektraris NMR
Nasimalun B
Common Name: Nasimalun B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-21(11-8-15-10-13-27-14-15)17(20(24)26-4)9-12-22(2)16(19(23)25-3)6-5-7-18(21)22/h6,10,13-14,17-18H,5,7-9,11-12H2,1-4H3/t17-,18+,21-,22-/m0/s1
InChIKey: InChIKey=UKLZKUFVLXPLCP-UDKICSLYSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hasan, C.M., Khan, S., Jabbar, A., Rashid, M.A. J Nat Prod (2000) 63, 410-1
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) | 17.2 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 137.2 |
| 4 (C) | 141.8 |
| 5 (C) | 37.3 |
| 6 (CH2) | 34.9 |
| 7 (CH2) | 21.6 |
| 8 (CH) | 49.1 |
| 9 (C) | 38.7 |
| 10 (CH) | 46.4 |
| 11 (CH2) | 40.9 |
| 12 (CH2) | 18.1 |
| 13 (C) | 125.1 |
| 14 (CH) | 111 |
| 15 (CH) | 142.7 |
| 16 (CH) | 138.5 |
| 17 (C) | 174.9 |
| 18 (C) | 167.5 |
| 19 (CH3) | 20.8 |
| 20 (CH3) | 19.9 |
| 17a (CH3) | 51.2 |
| 18a (CH3) | 51.1 |
