Spektraris NMR
Suberitenone D
Common Name: Suberitenone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O6/c1-17-13-22(34-18(2)30)20(14-21(17)32)29(33)12-9-24-27(6,16-29)15-23(35-19(3)31)25-26(4,5)10-8-11-28(24,25)7/h13,20,22-25,33H,8-12,14-16H2,1-7H3/t20?,22-,23-,24+,25+,27+,28-,29-/m1/s1
InChIKey: InChIKey=NCUKRXXKINVRFV-OCJCNFNRSA-N
Formula: C29H44O6
Molecular Weight: 488.657164
Exact Mass: 488.313789
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) | 41.9 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 44.3 |
| 4 (C) | 34 |
| 5 (CH) | 56.7 |
| 6 (CH) | 70.5 |
| 7 (CH2) | 46.8 |
| 8 (C) | 34.4 |
| 9 (CH) | 58.9 |
| 10 (C) | 37.2 |
| 11 (CH2) | 16.9 |
| 12 (CH2) | 37.5 |
| 13 (C) | 72.7 |
| 14 (CH2) | 53.9 |
| 15 (CH3) | 32.9 |
| 16 (CH3) | 23 |
| 17 (CH3) | 22.8 |
| 18 (CH3) | 17.2 |
| 19 (CH) | 47.8 |
| 20 (CH) | 67.6 |
| 21 (CH) | 137.6 |
| 22 (C) | 139.1 |
| 23 (C) | 199.9 |
| 24 (CH2) | 34 |
| 25 (CH3) | 15.6 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.8 |
| 20a (C) | 169.7 |
| 20b (CH3) | 21.2 |
