Spektraris NMR
Bipinnatin G
Common Name: Bipinnatin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O8/c1-11(2)16-9-18(28-13(4)25)17-8-15(30-23(17)27)10-24(6)22(32-24)19-7-12(3)20(31-19)21(16)29-14(5)26/h7-8,15-16,18,21-22H,1,9-10H2,2-6H3/t15-,16+,18-,21+,22-,24+/m1/s1
InChIKey: InChIKey=BSRQZDCQSDYEKJ-HOBXZSCTSA-N
Formula: C24H28O8
Molecular Weight: 444.475242
Exact Mass: 444.178418
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) | 42.4 |
| 2 (CH) | 67.9 |
| 3 (C) | 146.5 |
| 4 (C) | 121.2 |
| 5 (CH) | 108.9 |
| 6 (C) | 148.8 |
| 7 (CH) | 55.7 |
| 8 (C) | 57 |
| 9 (CH2) | 39.9 |
| 10 (CH) | 77.7 |
| 11 (CH) | 151.1 |
| 12 (C) | 134.4 |
| 13 (CH) | 68.7 |
| 14 (CH2) | 33.9 |
| 15 (C) | 146.5 |
| 16 (CH2) | 113.6 |
| 17 (CH3) | 21.3 |
| 18 (CH3) | 9.7 |
| 19 (CH3) | 19.6 |
| 20 (C) | 170.2 |
| 2a (C) | 170.4 |
| 2b (CH3) | 20.5 |
| 13a (C) | 170.1 |
| 13b (CH3) | 20.9 |
