Spektraris NMR
Amentotaxin BA
Common Name: Amentotaxin BA
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H54O5/c1-21(2)23-18-24-26(41)19-29-36(5,6)30(42)17-22-16-25-34(44)38-14-10-27-35(3,4)12-9-13-37(27,7)28(38)11-15-39(25,20-38)40(22,29)31(24)32(43)33(23)45-8/h16,18,21-22,26-29,41,43H,9-15,17,19-20H2,1-8H3/t22-,26-,27+,28-,29-,37+,38+,39-,40?/m0/s1
InChIKey: InChIKey=ZVPKLYXBKCMEJT-SJRXSABVSA-N
Formula: C40H54O5
Molecular Weight: 614.855261
Exact Mass: 614.397125
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Day, S.H., Su, H.J., Lin, C.N., Yang, S.Z. Helv Chim Acta (2002) 85, 2377-82
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 39.3 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 41.8 |
| 4 (C) | 33.2 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 27.7 |
| 8 (C) | 52.2 |
| 9 (CH) | 52.9 |
| 10 (C) | 39.8 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 34.7 |
| 13 (C) | 51.6 |
| 14 (CH2) | 35.1 |
| 15 (C) | 221.5 |
| 16 (C) | 142.4 |
| 17 (CH) | 120 |
| 18 (CH3) | 21.5 |
| 19 (CH3) | 33.4 |
| 20 (CH3) | 17.5 |
| 1' (CH) | 53.2 |
| 2' (CH2) | 29.7 |
| 3' (C) | 213.4 |
| 4' (C) | 47.1 |
| 5' (CH) | 38.6 |
| 6' (CH2) | 38 |
| 7' (CH) | 66.8 |
| 8' (C) | 138 |
| 9' (C) | 117.1 |
| 10' (C) | 46.4 |
| 11' (C) | 146.4 |
| 12' (C) | 143.4 |
| 13' (C) | 140.1 |
| 14' (CH) | 114.4 |
| 15' (CH) | 26.8 |
| 16' (CH3) | 23.5 |
| 17' (CH3) | 23.8 |
| 18' (CH3) | 20.2 |
| 19' (CH3) | 24.6 |
| 12'a (CH3) | 61.9 |
