Spektraris NMR
Bipinnatin J
Common Name: Bipinnatin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-11(2)17-6-5-14-10-16(24-20(14)22)8-12(3)7-15-9-13(4)19(23-15)18(17)21/h7,9-10,16-18,21H,1,5-6,8H2,2-4H3/b12-7-/t16-,17-,18-/m0/s1
InChIKey: InChIKey=RCFMTOJVVOOMTO-PVUOXGCVSA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, J.G. J Org Chem (1998) 63, 420-1
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) | 51.1 |
| 2 (CH) | 65 |
| 3 (C) | 149.3 |
| 4 (C) | 121 |
| 5 (CH) | 113.8 |
| 6 (C) | 151 |
| 7 (CH) | 117.3 |
| 8 (C) | 128.9 |
| 9 (CH2) | 39.7 |
| 10 (CH) | 78.6 |
| 11 (CH) | 152.2 |
| 12 (C) | 132.6 |
| 13 (CH2) | 19.6 |
| 14 (CH2) | 30.1 |
| 15 (C) | 142.2 |
| 16 (CH2) | 118.4 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 9.4 |
| 19 (CH3) | 25.7 |
| 20 (C) | 174.2 |
