Spektraris NMR
Taibaijaponicain B
Common Name: Taibaijaponicain B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O9/c1-10(24)31-14-6-15-23(9-30-19(27)17(23)21(14,2)3)16-13(25)5-11-7-22(16,20(28)32-15)18(26)12(11)8-29-4/h11-17,19,25,27H,5-9H2,1-4H3/t11-,12-,13+,14+,15+,16-,17-,19-,22+,23+/m1/s1
InChIKey: InChIKey=LZAVQTOGXOKEMO-VYCNPAIRSA-N
Formula: C23H32O9
Molecular Weight: 452.495674
Exact Mass: 452.204633
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, B., Tian, X. Phytochemistry (2001) 58, 543-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Enmeins; 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 (CH) | 77.2 |
| 2 (CH2) | 32.1 |
| 3 (CH) | 71.6 |
| 4 (C) | 35.7 |
| 5 (CH) | 54.2 |
| 6 (CH) | 102.5 |
| 7 (C) | 171.1 |
| 8 (C) | 57.5 |
| 9 (CH) | 53 |
| 10 (C) | 51.5 |
| 11 (CH) | 63.4 |
| 12 (CH2) | 32.5 |
| 13 (CH) | 31.4 |
| 14 (CH2) | 35.2 |
| 15 (C) | 212.4 |
| 16 (CH) | 58.9 |
| 17 (CH2) | 69.4 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 22.4 |
| 20 (CH2) | 73.7 |
| 3a (C) | 170.6 |
| 3b (CH3) | 20.9 |
| 17a (CH3) | 56.2 |
