Spektraris NMR
Mellerin A
Common Name: Mellerin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O6/c1-6-7-8-9-10-11-22(30)34-27-14-18(3)28(33)20(23(27)25(27,4)5)13-19(16-29)15-26(32)21(28)12-17(2)24(26)31/h12-13,18,20-21,23,29,32-33H,6-11,14-16H2,1-5H3/t18-,20+,21-,23-,26-,27+,28-/m1/s1
InChIKey: InChIKey=VJTBJVHQCFQKLQ-XTNHTTTKSA-N
Formula: C28H42O6
Molecular Weight: 474.630546
Exact Mass: 474.298139
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Zhao, W.M., Wolfender, J.L., Mavi, S., Hostettmann, K. Phytochemistry (1998) 48, 1173-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Tiglianes; 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) | 161.2 |
| 2 (C) | 132.7 |
| 3 (C) | 209.5 |
| 4 (C) | 73.7 |
| 5 (CH2) | 38.3 |
| 6 (C) | 140.1 |
| 7 (CH) | 130.1 |
| 8 (CH) | 38.9 |
| 9 (C) | 76.2 |
| 10 (CH) | 55.5 |
| 11 (CH) | 36.1 |
| 12 (CH2) | 31.8 |
| 13 (C) | 63.3 |
| 14 (CH) | 32.4 |
| 15 (C) | 22.6 |
| 16 (CH3) | 23.2 |
| 17 (CH3) | 15.3 |
| 18 (CH3) | 18.5 |
| 19 (CH3) | 10 |
| 20 (CH2) | 68.1 |
| 13a (C) | 175.9 |
| 13b (CH2) | 34.5 |
| 13c (CH2) | 24.7 |
| 13d (CH2) | 29 |
| 13e (CH2) | 28.8 |
| 13f (CH2) | 31.5 |
| 13g (CH2) | 22.5 |
| 13h (CH3) | 14 |
