Spektraris NMR
Tubiferal A
Common Name: Tubiferal A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O5/c1-17(2)7-6-8-20-25-24(35-27(20)34)15-30(16-31)22-10-9-21-19(13-18(22)11-12-29(25,30)5)14-23(32)26(33)28(21,3)4/h7,11,13,16,20-26,32-33H,6,8-10,12,14-15H2,1-5H3/t20-,21-,22-,23-,24+,25+,26+,29-,30-/m1/s1
InChIKey: InChIKey=SKMJFLCULWXBDN-UHBAVIIOSA-N
Formula: C30H42O5
Molecular Weight: 482.652613
Exact Mass: 482.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kamata, K., Onuki, H., Hirota, H., Yamamoto, Y., Hayashi, M., Komiyama, K., Sato, M., Ishibashi, M. Tetrahedron (2004) 60, 9835-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 47.2 |
| 2 (CH) | 71.3 |
| 3 (CH) | 82.5 |
| 4 (C) | 40.8 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 25.6 |
| 7 (CH2) | 29.8 |
| 8 (CH) | 45.6 |
| 9 (C) | 137.7 |
| 10 (C) | 134.8 |
| 11 (CH) | 129.1 |
| 12 (CH2) | 37.8 |
| 13 (C) | 45 |
| 14 (C) | 65.7 |
| 15 (CH2) | 34 |
| 16 (CH) | 82.1 |
| 17 (CH) | 51 |
| 18 (CH3) | 18.9 |
| 19 (CH) | 130.2 |
| 20 (CH) | 43 |
| 21 (C) | 178.4 |
| 22 (CH2) | 25.9 |
| 23 (CH2) | 27.1 |
| 24 (CH) | 123 |
| 25 (C) | 133.5 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 24.7 |
| 29 (CH3) | 14.9 |
| 30 (CH) | 208.1 |
