Spektraris NMR
Orthosiphol N
Common Name: Orthosiphol N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O10/c1-7-34(5)19-23(38)27-35(6)24(18-25(39)36(27,43)32(34)42)33(3,4)28(45-30(40)21-14-10-8-11-15-21)26(44-20(2)37)29(35)46-31(41)22-16-12-9-13-17-22/h7-17,24-29,39,43H,1,18-19H2,2-6H3/t24-,25+,26-,27+,28+,29-,34-,35-,36-/m0/s1
InChIKey: InChIKey=LFPSUBPBKLUQAL-OBSWDRTESA-N
Formula: C36H40O10
Molecular Weight: 632.698172
Exact Mass: 632.262148
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) | 73.9 |
| 2 (CH) | 65.9 |
| 3 (CH) | 76.6 |
| 4 (C) | 37.1 |
| 5 (CH) | 34.9 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 68.4 |
| 8 (C) | 77 |
| 9 (CH) | 50.9 |
| 10 (C) | 43.4 |
| 11 (C) | 210.3 |
| 12 (CH2) | 47.7 |
| 13 (C) | 49.2 |
| 14 (C) | 213.9 |
| 15 (CH) | 138.9 |
| 16 (CH2) | 116.5 |
| 17 (CH3) | 25.4 |
| 18 (CH3) | 22.4 |
| 19 (CH3) | 27.9 |
| 20 (CH3) | 16.7 |
| 1a (C) | 164.8 |
| 1b (C) | 130.2 |
| 1c (CH) | 130.6 |
| 1d (CH) | 128.1 |
| 1e (CH) | 132.6 |
| 1f (CH) | 128.1 |
| 1g (CH) | 130.6 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21 |
| 3a (C) | 166 |
| 3b (C) | 129.9 |
| 3c (CH) | 129.7 |
| 3d (CH) | 127.9 |
| 3e (CH) | 132.6 |
| 3f (CH) | 127.9 |
| 3g (CH) | 129.7 |
