Spektraris NMR
Nasimalun A
Common Name: Nasimalun A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O6/c1-20(10-16(22)13-7-9-26-11-13)14(18(23)25-2)6-8-21-12-27-19(24)15(21)4-3-5-17(20)21/h4,7,9,11,14,17H,3,5-6,8,10,12H2,1-2H3/t14-,17+,20-,21+/m0/s1
InChIKey: InChIKey=RXMKNHZLQNBAPQ-QUUBWDHISA-N
Formula: C21H24O6
Molecular Weight: 372.412461
Exact Mass: 372.157289
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) | 20.1 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 136.2 |
| 4 (C) | 137.8 |
| 5 (C) | 45.1 |
| 6 (CH2) | 33.2 |
| 7 (CH2) | 22.1 |
| 8 (CH) | 48.7 |
| 9 (C) | 39.6 |
| 10 (CH) | 46.7 |
| 11 (CH2) | 46.5 |
| 12 (C) | 193.6 |
| 13 (C) | 128.6 |
| 14 (CH) | 108.5 |
| 15 (CH) | 144.3 |
| 16 (CH) | 147.1 |
| 17 (C) | 174 |
| 18 (C) | 169 |
| 19 (CH2) | 71.4 |
| 20 (CH3) | 19.2 |
| 17a (CH3) | 51.4 |
