Spektraris NMR
Suberiphenol
Common Name: Suberiphenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O3/c1-17-8-9-19(14-21(17)29)20-10-11-23-26(5,15-20)16-22(30-18(2)28)24-25(3,4)12-7-13-27(23,24)6/h8-10,14,22-24,29H,7,11-13,15-16H2,1-6H3/t22-,23+,24+,26-,27-/m1/s1
InChIKey: InChIKey=CCXWTNLPPHXPFG-IWRPRKENSA-N
Formula: C27H38O3
Molecular Weight: 410.589833
Exact Mass: 410.282095
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, H.S., Ahn, J.W., Lee, Y.H., Rho, J.R., Shin, J. J Nat Prod (2004) 67, 672-4
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Suberitanes; 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) | 42.1 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 43.9 |
| 4 (C) | 33.9 |
| 5 (CH) | 56.4 |
| 6 (CH) | 70.1 |
| 7 (CH2) | 46.2 |
| 8 (C) | 32.2 |
| 9 (CH) | 52.7 |
| 10 (C) | 37 |
| 11 (CH2) | 23.1 |
| 12 (CH) | 123.4 |
| 13 (C) | 133.3 |
| 14 (CH2) | 48.3 |
| 15 (CH3) | 33.3 |
| 16 (CH3) | 23.2 |
| 17 (CH3) | 20.7 |
| 18 (CH3) | 16.3 |
| 19 (C) | 141.7 |
| 20 (CH) | 117.3 |
| 21 (CH) | 130.7 |
| 22 (C) | 121.9 |
| 23 (C) | 153.6 |
| 24 (CH) | 111.5 |
| 25 (CH3) | 15.4 |
| 6a (C) | 170.6 |
| 6b (CH3) | 21.9 |
