Spektraris NMR
Suberitenone B
Common Name: Suberitenone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O5/c1-16-12-20(30)18(13-19(16)29)27(31)11-8-22-25(5,15-27)14-21(32-17(2)28)23-24(3,4)9-7-10-26(22,23)6/h12,18,20-23,30-31H,7-11,13-15H2,1-6H3/t18-,20+,21+,22-,23-,25-,26+,27+/m0/s1
InChIKey: InChIKey=DSZZAWMJNZOMHU-IWNJVDBKSA-N
Formula: C27H42O5
Molecular Weight: 446.620406
Exact Mass: 446.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Diaz-Marrero, A.R., Brito, I., Cueto, M., San-Martin, A., Darias, J. Tetrahedron Lett (2004) 45, 4707-10
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) | 41.8 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 44.2 |
| 4 (C) | 34 |
| 5 (CH) | 56.7 |
| 6 (CH) | 70.7 |
| 7 (CH2) | 46.9 |
| 8 (C) | 34.2 |
| 9 (CH) | 58.8 |
| 10 (C) | 37.1 |
| 11 (CH2) | 16.9 |
| 12 (CH2) | 37.9 |
| 13 (C) | 73.5 |
| 14 (CH2) | 53.6 |
| 15 (CH3) | 32.9 |
| 16 (CH3) | 23 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 17.2 |
| 19 (CH) | 48 |
| 20 (CH) | 64.3 |
| 21 (CH) | 141.6 |
| 22 (C) | 137.3 |
| 23 (C) | 200.9 |
| 24 (CH2) | 32.9 |
| 25 (CH3) | 15.6 |
| 6a (C) | 170.7 |
| 6b (CH3) | 21.9 |
