Spektraris NMR
Tereticomate A
Common Name: Tereticomate A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H54O6/c1-24-13-19-39-22-21-38(7)37(6)18-14-29-35(3,4)31(45-32(42)12-10-26-9-11-27(41)28(23-26)44-8)16-17-36(29,5)30(37)15-20-40(38,46-34(39)43)33(39)25(24)2/h9-12,15,20,23-25,29-31,33,41H,13-14,16-19,21-22H2,1-8H3/b12-10+/t24-,25+,29+,30-,31+,33-,36+,37-,38+,39+,40+/m1/s1
InChIKey: InChIKey=IOGXUTZMCFOAOS-SALWDLGTSA-N
Formula: C40H54O6
Molecular Weight: 630.854666
Exact Mass: 630.392039
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, H., Fujimoto, Y. Phytochemistry (1993) 33, 151-3
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 38 |
| 2 (CH2) | 23.4 |
| 3 (CH) | 80.4 |
| 4 (C) | 38.1 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 17.5 |
| 7 (CH2) | 31.1 |
| 8 (C) | 41.9 |
| 9 (CH) | 52.9 |
| 10 (C) | 36.3 |
| 11 (CH) | 128.9 |
| 12 (CH) | 133.3 |
| 13 (C) | 89.7 |
| 14 (C) | 41.6 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 22.8 |
| 17 (C) | 45.1 |
| 18 (CH) | 60.5 |
| 19 (CH) | 40.2 |
| 20 (CH) | 38.1 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 31.3 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 19.1 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 16.1 |
| 28 (C) | 179.9 |
| 29 (CH3) | 17.8 |
| 30 (CH3) | 18 |
| 1' (C) | 167.1 |
| 2' (CH) | 116 |
| 3' (CH) | 144.5 |
| 4' (C) | 127 |
| 5' (CH) | 109.2 |
| 6' (C) | 146.8 |
| 7' (C) | 147.9 |
| 8' (CH) | 114.7 |
| 9' (CH) | 123.1 |
| 6'a (CH3) | 55.9 |
