Spektraris NMR
Sethukarailin
Common Name: Sethukarailin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O8/c1-14(2)16-8-7-15(20(25)28-4)9-17(24)12-22(3,27)13-18-10-19(21(26)29-5)23(11-16,30-6)31-18/h7,10,13,16,27H,1,8-9,11-12H2,2-6H3/b15-7+,18-13+/t16-,22-,23?/m0/s1
InChIKey: InChIKey=MRNBCVZNASEYRL-RSRRMRKFSA-N
Formula: C23H30O8
Molecular Weight: 434.480388
Exact Mass: 434.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Venkateswarlu, Y., Sridevi, K.V., Rao, M.R. J Nat Prod (1999) 62, 756-8
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) | 41.4 |
| 2 (CH2) | 33.2 |
| 3 (C) | 115.9 |
| 4 (C) | 131.2 |
| 5 (CH) | 138.9 |
| 6 (C) | 150 |
| 7 (CH) | 116.9 |
| 8 (C) | 70.7 |
| 9 (CH2) | 51.4 |
| 10 (C) | 210.6 |
| 11 (CH2) | 40.9 |
| 12 (C) | 128.1 |
| 13 (CH) | 143.3 |
| 14 (CH2) | 39.8 |
| 15 (C) | 145.8 |
| 16 (CH2) | 112.8 |
| 17 (CH3) | 19.5 |
| 18 (C) | 162 |
| 19 (CH3) | 27.3 |
| 20 (C) | 167.3 |
| 3a (CH3) | 49.9 |
| 18a (CH3) | 51.8 |
| 20a (CH3) | 52.2 |
