Spektraris NMR
Barbatin A
Common Name: Barbatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H38O8/c1-21-12-11-17-24-31(21,2)28(41-30(38)23-15-9-6-10-16-23)27(36)33(4)32(24,3)25(18-34(42-33)19-26(35)39-20-34)40-29(37)22-13-7-5-8-14-22/h5-10,12-16,24-25,27-28,36H,11,17-20H2,1-4H3/t24-,25-,27-,28-,31-,32-,33-,34-/m0/s1
InChIKey: InChIKey=ZAYKMDVKSXAHIM-RJGRQJGLSA-N
Formula: C34H38O8
Molecular Weight: 574.662009
Exact Mass: 574.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, S.J., Tao, J.Y., Liu, K., Jiang, Y.T., Shen, L. Phytochemistry (2006) 67, 1326-30
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) | 28.8 |
| 2 (CH2) | 33.1 |
| 3 (CH) | 121.1 |
| 4 (C) | 143.9 |
| 5 (C) | 44.8 |
| 6 (CH) | 73 |
| 7 (CH) | 69.8 |
| 8 (C) | 83.7 |
| 9 (C) | 39.1 |
| 10 (CH) | 43.7 |
| 11 (CH) | 72.5 |
| 12 (CH2) | 29.6 |
| 13 (C) | 76.8 |
| 14 (CH2) | 43.9 |
| 15 (C) | 174.2 |
| 16 (CH2) | 76.3 |
| 17 (CH3) | 19.8 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 16.7 |
| 20 (CH3) | 22.3 |
| 1' (C) | 166.7 |
| 2' (C) | 128.9 |
| 3' (CH) | 130 |
| 4' (CH) | 129.2 |
| 5' (CH) | 133.4 |
| 6' (CH) | 129.2 |
| 7' (CH) | 130 |
| 1'' (C) | 168.3 |
| 2'' (C) | 129.4 |
| 3'' (CH) | 129.8 |
| 4'' (CH) | 128.6 |
| 5'' (CH) | 133.7 |
| 6'' (CH) | 128.6 |
| 7'' (CH) | 129.8 |
