Spektraris NMR
Paralinones A
Common Name: Paralinones A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O13/c1-17-13-34(43)25(26(17)47-29(41)21-11-9-8-10-12-21)28(46-24(39)16-44-18(2)36)35(48-20(4)38)14-22-23(15-32(5,6)27(22)40)33(7,30(35)42)31(34)45-19(3)37/h8-12,17,22-23,25-26,28,30-31,42-43H,13-16H2,1-7H3/t17-,22+,23-,25+,26?,28+,30-,31+,33-,34+,35+/m0/s1
InChIKey: InChIKey=IVMNWLBWQDWBMA-HTLJIFJQSA-N
Formula: C35H44O13
Molecular Weight: 672.717414
Exact Mass: 672.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oksiaz, S., Gfirek, F., Yang, S.-W., Lin, L.-Z., Cordell, G.A., Pezzuto, J.M., Wagner, H., Lotter, H. Tetrahedron (1997) 53, 3215-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Segetanes; 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) | 49.9 |
| 2 (CH) | 37.2 |
| 3 (CH) | 80.9 |
| 4 (CH) | 47.5 |
| 5 (CH) | 69.1 |
| 6 (C) | 83.2 |
| 7 (CH2) | 30.8 |
| 8 (CH) | 46.2 |
| 9 (C) | 219.3 |
| 10 (C) | 45.5 |
| 11 (CH2) | 32 |
| 12 (CH) | 42.8 |
| 13 (C) | 46 |
| 14 (CH) | 75.9 |
| 15 (C) | 82.3 |
| 16 (CH3) | 14.3 |
| 17 (CH) | 70.2 |
| 18 (CH3) | 24.9 |
| 19 (CH3) | 26.7 |
| 20 (CH3) | 25.8 |
| 3a (C) | 60.4 |
| 3b (C) | 20.3 |
| 3c (CH) | 20.6 |
| 3d (CH) | 21 |
| 3e (CH) | 21 |
| 3f (CH) | 169.9 |
| 3g (CH) | 170 |
| 5a (C) | 169.4 |
| 5b (CH2) | 170.4 |
| 5c (C) | 167.1 |
| 5d (CH3) | 129.4 |
| 6a (C) | 129.2 |
| 6b (CH3) | 128.8 |
| 14a (C) | 133.4 |
| 14b (CH3) | 165.8 |
