Spektraris NMR
Orthosiphonone C
Common Name: Orthosiphonone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O9/c1-7-27(5)14-17(31)21-28(6)18(13-19(37-15(2)30)29(21,36)25(27)35)26(3,4)22(32)20(23(28)33)38-24(34)16-11-9-8-10-12-16/h7-12,18-23,32-33,36H,1,13-14H2,2-6H3/t18-,19+,20-,21+,22+,23-,27-,28-,29-/m0/s1
InChIKey: InChIKey=HJGHLDCCNKXCAO-SKLQCFIISA-N
Formula: C29H36O9
Molecular Weight: 528.591853
Exact Mass: 528.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nguyen, M.T., Awale, S., Tezuka, Y., Chien-Hsiung, C., Kadota, S. J Nat Prod (2004) 67, 654-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 75 |
| 2 (CH) | 68.7 |
| 3 (CH) | 78.8 |
| 4 (C) | 38.5 |
| 5 (CH) | 33.9 |
| 6 (CH2) | 21.7 |
| 7 (CH) | 71.6 |
| 8 (C) | 77.2 |
| 9 (CH) | 52.6 |
| 10 (C) | 44.1 |
| 11 (C) | 206.6 |
| 12 (CH2) | 47.7 |
| 13 (C) | 49.8 |
| 14 (C) | 208.6 |
| 15 (CH) | 138.9 |
| 16 (CH2) | 116.8 |
| 17 (CH3) | 25.1 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 16.3 |
| 2a (C) | 165.9 |
| 2b (C) | 129.8 |
| 2c (CH) | 129.8 |
| 2d (CH) | 128.5 |
| 2e (CH) | 133.2 |
| 2f (CH) | 128.5 |
| 2g (CH) | 129.8 |
| 7a (C) | 168.9 |
| 7b (CH3) | 21 |
