Spektraris NMR
Orthosiphonone D
Common Name: Orthosiphonone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O10/c1-7-34(5)19-23(38)27-35(6)24(18-25(44-20(2)37)36(27,43)32(34)42)33(3,4)28(45-30(40)21-14-10-8-11-15-21)26(39)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=RNHZJCFJGXQTMF-OBSWDRTESA-N
Formula: C36H40O10
Molecular Weight: 632.698172
Exact Mass: 632.262148
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) | 77.8 |
| 2 (CH) | 65.6 |
| 3 (CH) | 78.5 |
| 4 (C) | 37.6 |
| 5 (CH) | 36.3 |
| 6 (CH2) | 21.2 |
| 7 (CH) | 71 |
| 8 (C) | 76.3 |
| 9 (CH) | 51.9 |
| 10 (C) | 43.5 |
| 11 (C) | 206 |
| 12 (CH2) | 48 |
| 13 (C) | 49.1 |
| 14 (C) | 207.2 |
| 15 (CH) | 138.5 |
| 16 (CH2) | 117.1 |
| 17 (CH3) | 25.3 |
| 18 (CH3) | 28.3 |
| 19 (CH3) | 22.3 |
| 20 (CH3) | 16.9 |
| 1a (C) | 166.9 |
| 1b (C) | 129.7 |
| 1c (CH) | 130.2 |
| 1d (CH) | 128.1 |
| 1e (CH) | 133.2 |
| 1f (CH) | 128.1 |
| 1g (CH) | 130.2 |
| 3a (C) | 166.8 |
| 3b (C) | 129.9 |
| 3c (CH) | 129.5 |
| 3d (CH) | 127.8 |
| 3e (CH) | 132.6 |
| 3f (CH) | 127.8 |
| 3g (CH) | 129.5 |
| 7a (C) | 168.2 |
| 7b (CH3) | 20.8 |
