Spektraris NMR
Orthosiphol Z
Common Name: Orthosiphol Z
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-7-20(5)9-12(24)16-21(6)10-13(29-11(2)23)17(26)19(3,4)14(21)8-15(25)22(16,28)18(20)27/h7,10,14-16,25,28H,1,8-9H2,2-6H3/t14-,15+,16+,20-,21-,22-/m0/s1
InChIKey: InChIKey=BPJCFHARVKYGQI-XFRCGTSASA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Tezuka, Y., Banskota, A.H., Adnyana, I.K., Kadota, S. J Nat Prod (2003) 66, 255-8
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) | 143.2 |
| 2 (C) | 141.9 |
| 3 (C) | 196.6 |
| 4 (C) | 44.9 |
| 5 (CH) | 42.3 |
| 6 (CH2) | 24.7 |
| 7 (CH) | 68.8 |
| 8 (C) | 77.6 |
| 9 (CH) | 52.6 |
| 10 (C) | 39.8 |
| 11 (C) | 206.5 |
| 12 (CH2) | 47.9 |
| 13 (C) | 49.5 |
| 14 (C) | 209.1 |
| 15 (CH) | 138.3 |
| 16 (CH2) | 116.1 |
| 17 (CH3) | 25.4 |
| 18 (CH3) | 27.6 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 20 |
| 2a (C) | 168.6 |
| 2b (CH3) | 20.3 |
