Spektraris NMR
Suberitenone C
Common Name: Suberitenone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-16-12-21(30)19(13-20(16)29)18-8-9-23-26(5,14-18)15-22(31-17(2)28)24-25(3,4)10-7-11-27(23,24)6/h8,12,19,21-24,30H,7,9-11,13-15H2,1-6H3/t19?,21-,22-,23+,24+,26-,27-/m1/s1
InChIKey: InChIKey=AVKROXAXWOMCFG-ZTEHQUEHSA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
NMR Solvent: CD3COCD3
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) | 42.7 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 44.6 |
| 4 (C) | 34.5 |
| 5 (CH) | 56.8 |
| 6 (CH) | 70.5 |
| 7 (CH2) | 46.8 |
| 8 (C) | 32.9 |
| 9 (CH) | 53.7 |
| 10 (C) | 37.7 |
| 11 (CH2) | 23.3 |
| 12 (CH) | 123.3 |
| 13 (C) | 135.3 |
| 14 (CH2) | 49 |
| 15 (CH3) | 33.5 |
| 16 (CH3) | 23.6 |
| 17 (CH3) | 21.1 |
| 18 (CH3) | 16.9 |
| 19 (CH) | 46.6 |
| 20 (CH) | 65.5 |
| 21 (CH) | 144.9 |
| 22 (C) | 135.9 |
| 23 (C) | 200 |
| 24 (CH2) | 38.1 |
| 25 (CH3) | 15.6 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.7 |
