Spektraris NMR
seco-Bipinnatin J
Common Name: seco-Bipinnatin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-11(2)17(18(23)19-12(3)7-16(10-21)25-19)6-5-14-9-15(8-13(4)22)26-20(14)24/h7,9-10,15,17-18,23H,1,5-6,8H2,2-4H3/t15-,17-,18-/m0/s1
InChIKey: InChIKey=LCHNJWOFIRMMJY-SZMVWBNQSA-N
Formula: C20H24O6
Molecular Weight: 360.401726
Exact Mass: 360.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, Y.P. J Nat Prod (2000) 63, 1548-50
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) | 52.1 |
| 2 (CH) | 66.6 |
| 3 (C) | 151 |
| 4 (C) | 121.1 |
| 5 (CH) | 124.7 |
| 6 (C) | 156.1 |
| 7 (CH) | 177.5 |
| 8 (C) | 204.4 |
| 9 (CH2) | 46.3 |
| 10 (CH) | 76.8 |
| 11 (CH) | 148 |
| 12 (C) | 133.6 |
| 13 (CH2) | 22.8 |
| 14 (CH2) | 25.7 |
| 15 (C) | 142.7 |
| 16 (CH2) | 117.6 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 9.6 |
| 19 (CH3) | 30.4 |
| 20 (C) | 172.9 |
