Spektraris NMR
Cespitularin E
Common Name: Cespitularin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O2/c1-13-8-9-15-6-5-7-17(19(15,3)4)18(21)12-14(2)11-16(20)10-13/h7,11,15-16,20H,1,5-6,8-10,12H2,2-4H3/b14-11+/t15-,16?/m0/s1
InChIKey: InChIKey=JWAJDLYSFBHBSW-ANCIEEHGSA-N
Formula: C19H28O2
Molecular Weight: 288.425133
Exact Mass: 288.20893
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) | 43.1 |
| 2 (CH2) | 30.7 |
| 3 (CH2) | 30.7 |
| 4 (C) | 147 |
| 5 (CH2) | 44.7 |
| 6 (CH) | 69.3 |
| 7 (CH) | 133.2 |
| 8 (C) | 130.8 |
| 9 (CH2) | 51.1 |
| 10 (C) | 202.2 |
| 11 (C) | 148 |
| 12 (CH) | 135.5 |
| 13 (CH2) | 24 |
| 14 (CH2) | 23 |
| 15 (C) | 35.4 |
| 16 (CH3) | 32.9 |
| 17 (CH3) | 24.6 |
| 19 (CH3) | 19 |
| 20 (CH2) | 112.6 |
