Spektraris NMR
Orthosiphol K
Common Name: Orthosiphol K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H42O10/c1-7-34(5)19-23(45-30(40)21-14-10-8-11-15-21)27-35(6)24(18-25(44-20(2)37)36(27,43)32(34)42)33(3,4)28(39)26(38)29(35)46-31(41)22-16-12-9-13-17-22/h7-17,23-29,38-39,43H,1,18-19H2,2-6H3/t23-,24+,25-,26+,27-,28-,29+,34+,35+,36+/m1/s1
InChIKey: InChIKey=XZOHHNDEJRVJSL-KXWDHPLKSA-N
Formula: C36H42O10
Molecular Weight: 634.714053
Exact Mass: 634.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awale, S., Tezuka, Y., Banskota, A.H., Adnyana, I.K., Kadota, S. J Nat Prod (2001) 64, 592-6
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) | 78 |
| 2 (CH) | 67.2 |
| 3 (CH) | 77.6 |
| 4 (C) | 37.3 |
| 5 (CH) | 35.2 |
| 6 (CH2) | 21.4 |
| 7 (CH) | 70.9 |
| 8 (C) | 75.6 |
| 9 (CH) | 41.2 |
| 10 (C) | 43.7 |
| 11 (CH) | 68.6 |
| 12 (CH2) | 40.3 |
| 13 (C) | 47.9 |
| 14 (C) | 208.5 |
| 15 (CH) | 141.3 |
| 16 (CH2) | 114.1 |
| 17 (CH3) | 25.9 |
| 18 (CH3) | 28.9 |
| 19 (CH3) | 22.8 |
| 20 (CH3) | 16.5 |
| 1a (C) | 167.7 |
| 1b (C) | 129.7 |
| 1c (CH) | 130.6 |
| 1d (CH) | 128.1 |
| 1e (CH) | 133.3 |
| 1f (CH) | 128.1 |
| 1g (CH) | 130.6 |
| 7a (C) | 168.7 |
| 7b (CH3) | 20.9 |
| 11a (C) | 166.5 |
| 11b (C) | 130.6 |
| 11c (CH) | 129.6 |
| 11d (CH) | 128.1 |
| 11e (CH) | 132.6 |
| 11f (CH) | 128.1 |
| 11g (CH) | 129.6 |
