Spektraris NMR
Orthosiphol M
Common Name: Orthosiphol M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O10/c1-8-29(6)15-19(34)23-30(7)20(14-21(39-16(2)32)31(23,38)27(29)37)28(4,5)24(35)22(40-17(3)33)25(30)41-26(36)18-12-10-9-11-13-18/h8-13,20-25,35,38H,1,14-15H2,2-7H3/t20-,21+,22-,23+,24+,25-,29-,30-,31-/m0/s1
InChIKey: InChIKey=GTEFXIUCQAABAV-FYEHOKTBSA-N
Formula: C31H38O10
Molecular Weight: 570.628611
Exact Mass: 570.246497
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) | 75 |
| 2 (CH) | 67.4 |
| 3 (CH) | 76.3 |
| 4 (C) | 37.9 |
| 5 (CH) | 34.7 |
| 6 (CH2) | 21.2 |
| 7 (CH) | 71.2 |
| 8 (C) | 77.1 |
| 9 (CH) | 51.9 |
| 10 (C) | 42.7 |
| 11 (C) | 204.8 |
| 12 (CH2) | 47 |
| 13 (C) | 49.3 |
| 14 (C) | 208.1 |
| 15 (CH) | 138.4 |
| 16 (CH2) | 116.3 |
| 17 (CH3) | 24.9 |
| 18 (CH3) | 28.7 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 16 |
| 1a (C) | 163.9 |
| 1b (C) | 130.1 |
| 1c (CH) | 129.7 |
| 1d (CH) | 128.5 |
| 1e (CH) | 133.2 |
| 1f (CH) | 128.5 |
| 1g (CH) | 129.7 |
| 2a (C) | 169.9 |
| 2b (CH3) | 20.8 |
| 7a (C) | 168.5 |
| 7b (CH3) | 21 |
