Spektraris NMR
Lemnabourside
Common Name: Lemnabourside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O6/c1-14-8-10-18-16(3)9-11-19(20(18)12-14)15(2)6-5-7-17(4)25-30-13-21-22(27)23(28)24(29)26(31-21)32-25/h9,12,15,17-29H,5-8,10-11,13H2,1-4H3/t15?,17-,18-,19+,20-,21+,22+,23-,24+,25-,26-/m1/s1
InChIKey: InChIKey=UYNYEKFEWCFAHP-JVISTJFTSA-N
Formula: C26H42O6
Molecular Weight: 450.609075
Exact Mass: 450.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, M., Huang, Z. J Nat Prod (1998) 61, 1300-1
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Bifloranes; 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) | 25.1 |
| 2 (CH2) | 30.8 |
| 3 (C) | 134.4 |
| 4 (CH) | 123.9 |
| 5 (CH) | 36.4 |
| 6 (CH) | 39 |
| 7 (CH2) | 24.6 |
| 8 (CH) | 121.5 |
| 9 (C) | 136.5 |
| 10 (CH) | 39.6 |
| 11 (CH) | 31.9 |
| 12 (CH2) | 36 |
| 13 (CH2) | 24.6 |
| 14 (CH2) | 32.1 |
| 15 (CH) | 37.9 |
| 16 (CH) | 101.6 |
| 17 (CH3) | 24 |
| 18 (CH3) | 21.7 |
| 19 (CH3) | 13.4 |
| 20 (CH3) | 14.1 |
| 1' (CH) | 101.1 |
| 2' (CH) | 80.1 |
| 3' (CH) | 66.4 |
| 4' (CH) | 78.5 |
| 5' (CH) | 76.3 |
| 6' (CH2) | 67.6 |
