Spektraris NMR
Coscinoquinol
Common Name: Coscinoquinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O2/c1-22(11-14-25-21-26(32)15-17-28(25)33)9-7-10-23(2)12-16-27-24(3)13-18-29-30(4,5)19-8-20-31(27,29)6/h11-13,15,17,21,27,29,32-33H,7-10,14,16,18-20H2,1-6H3/b22-11+,23-12-/t27-,29-,31+/m0/s1
InChIKey: InChIKey=FBBXOWQBMFRXRO-MEVHTVKHSA-N
Formula: C31H46O2
Molecular Weight: 450.696897
Exact Mass: 450.349781
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Musman, M., Ohtani, II, Nagaoka, D., Tanaka, J., Higa, T. J Nat Prod (2001) 64, 350-2
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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 (CH2) | 40.8 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 43.5 |
| 4 (C) | 33.8 |
| 5 (CH) | 51.7 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 123.3 |
| 8 (C) | 136.8 |
| 9 (CH) | 56.9 |
| 10 (C) | 38 |
| 11 (CH2) | 26.6 |
| 12 (CH) | 128.7 |
| 13 (C) | 134.8 |
| 14 (CH2) | 32.6 |
| 15 (CH2) | 27 |
| 16 (CH2) | 41 |
| 17 (C) | 136.5 |
| 18 (CH) | 124.1 |
| 19 (CH2) | 29.1 |
| 20 (CH3) | 16.2 |
| 21 (CH3) | 23.7 |
| 22 (CH3) | 22.9 |
| 23 (CH3) | 33.8 |
| 24 (CH3) | 22.4 |
| 25 (CH3) | 14.5 |
| 1' (C) | 130.2 |
| 2' (C) | 149 |
| 3' (CH) | 116.5 |
| 4' (CH) | 113.9 |
| 5' (C) | 151.1 |
| 6' (CH) | 117.1 |
