Spektraris NMR
Tereticomate B
Common Name: Tereticomate B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H52O5/c1-24-14-20-38-23-22-37(7)36(6)19-15-28-34(3,4)30(43-31(41)13-10-26-8-11-27(40)12-9-26)17-18-35(28,5)29(36)16-21-39(37,44-33(38)42)32(38)25(24)2/h8-13,16,21,24-25,28-30,32,40H,14-15,17-20,22-23H2,1-7H3/b13-10+/t24-,25+,28+,29-,30+,32-,35+,36-,37+,38+,39+/m1/s1
InChIKey: InChIKey=RIHYZKAATDJNMK-LDPPHYEASA-N
Formula: C39H52O5
Molecular Weight: 600.828644
Exact Mass: 600.381475
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) | 80.5 |
| 4 (C) | 38.1 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 17.5 |
| 7 (CH2) | 31.2 |
| 8 (C) | 41.9 |
| 9 (CH) | 52.9 |
| 10 (C) | 36.3 |
| 11 (CH) | 128.8 |
| 12 (CH) | 133.4 |
| 13 (C) | 89.9 |
| 14 (C) | 41.7 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 22.8 |
| 17 (C) | 45.1 |
| 18 (CH) | 60.6 |
| 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) | 180.3 |
| 29 (CH3) | 17.8 |
| 30 (CH3) | 18 |
| 1' (C) | 167.3 |
| 2' (CH) | 115.9 |
| 3' (CH) | 144.2 |
| 4' (C) | 127.1 |
| 5' (CH) | 129.9 |
| 6' (CH) | 116 |
| 7' (C) | 157.9 |
| 8' (CH) | 116 |
| 9' (CH) | 129.9 |
