Spektraris NMR
Cespitularin C
Common Name: Cespitularin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-14-7-6-8-15(2)13-18(21)19-16(3)10-12-17(11-9-14)20(19,4)5/h8,17-18,21H,1,6-7,9-13H2,2-5H3/b15-8+/t17-,18-/m1/s1
InChIKey: InChIKey=BVJVBWNCZZIHMV-ZGOKVMRMSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., El-Gamal, A.A., Wang, S.K., Dai, C.F. J Nat Prod (2002) 65, 1429-33
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verticillanes; 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 (CH) | 44.9 |
| 2 (CH2) | 27.7 |
| 3 (CH2) | 38.4 |
| 4 (C) | 149.8 |
| 5 (CH2) | 33.6 |
| 6 (CH2) | 31.9 |
| 7 (CH) | 128.8 |
| 8 (C) | 127.5 |
| 9 (CH2) | 48.3 |
| 10 (CH) | 69 |
| 11 (C) | 137.4 |
| 12 (C) | 129.9 |
| 13 (CH2) | 33.9 |
| 14 (CH2) | 33 |
| 15 (C) | 38.9 |
| 16 (CH3) | 28.5 |
| 17 (CH3) | 33.9 |
| 18 (CH3) | 24.1 |
| 19 (CH3) | 20 |
| 20 (CH2) | 106.6 |
