Spektraris NMR
Bipinnatin H
Common Name: Bipinnatin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O9/c1-11-6-18-21-23(4,33-21)9-14-7-15(22(27)31-14)17(29-12(2)25)8-16(24(5)10-28-24)20(19(11)32-18)30-13(3)26/h6-7,14,16-17,20-21H,8-10H2,1-5H3/t14-,16-,17-,20+,21-,23+,24+/m1/s1
InChIKey: InChIKey=ZKPQWDXTJKFKDU-RMQIKXBPSA-N
Formula: C24H28O9
Molecular Weight: 460.474647
Exact Mass: 460.173332
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, J.G., Huang, S.D. J Nat Prod (1999) 62, 1228-37
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 39.4 |
| 2 (CH) | 68.1 |
| 3 (C) | 146.2 |
| 4 (C) | 121.3 |
| 5 (CH) | 109 |
| 6 (C) | 149 |
| 7 (CH) | 55.6 |
| 8 (C) | 57 |
| 9 (CH2) | 39.9 |
| 10 (CH) | 77.8 |
| 11 (CH) | 151.4 |
| 12 (C) | 134.4 |
| 13 (CH) | 67.5 |
| 14 (CH2) | 30.3 |
| 15 (C) | 56.9 |
| 16 (CH2) | 50.5 |
| 17 (CH3) | 23 |
| 18 (CH3) | 9.7 |
| 19 (CH3) | 19.6 |
| 20 (C) | 170.3 |
| 2a (C) | 170.1 |
| 2b (CH3) | 21.1 |
| 13a (C) | 170.3 |
| 13b (CH3) | 21.2 |
