Spektraris NMR
Bipinnatin I
Common Name: Bipinnatin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O10/c1-11-7-19-22-25(5,35-22)10-15-8-17(24(29)33-15)18(31-13(3)26)9-16(12(2)23(28)30-6)21(20(11)34-19)32-14(4)27/h7-8,15-16,18,21-22H,2,9-10H2,1,3-6H3/t15-,16+,18-,21+,22-,25+/m1/s1
InChIKey: InChIKey=DORQEQXBYZYXMV-KKPPAZOMSA-N
Formula: C25H28O10
Molecular Weight: 488.484788
Exact Mass: 488.168247
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) | 41.6 |
| 2 (CH) | 67 |
| 3 (C) | 146.1 |
| 4 (C) | 121.7 |
| 5 (CH) | 108.9 |
| 6 (C) | 148.9 |
| 7 (CH) | 55.7 |
| 8 (C) | 56.9 |
| 9 (CH2) | 40 |
| 10 (CH) | 77.8 |
| 11 (CH) | 151.4 |
| 12 (C) | 134.3 |
| 13 (CH) | 69 |
| 14 (CH2) | 33.1 |
| 15 (C) | 140.5 |
| 16 (C) | 166.6 |
| 17 (CH2) | 129.9 |
| 18 (CH3) | 9.7 |
| 19 (CH3) | 19.6 |
| 20 (C) | 170.1 |
| 2a (C) | 169.8 |
| 2b (CH3) | 20.8 |
| 13a (C) | 170.2 |
| 13b (CH3) | 20.5 |
| 16a (CH3) | 51.6 |
