Spektraris NMR
Cespihypotin R
Common Name: Cespihypotin R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-12-5-6-14-7-8-16-18(20(14,3)4)17(23-19(16)22)11-13(2)10-15(21)9-12/h10,14,17H,1,5-9,11H2,2-4H3/b13-10+/t14-,17-/m1/s1
InChIKey: InChIKey=YKYLWLYNDKXVIF-MKLFLIHKSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lo, K.L., Kuo, Y.H., Kuo, Y.C., Chen, C.H., Khalil, A.T. J Nat Prod (2008) 71, 1993-7
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) | 43.2 |
| 2 (CH2) | 17.1 |
| 3 (CH2) | 34.8 |
| 4 (C) | 143.6 |
| 5 (CH2) | 54 |
| 6 (C) | 198.9 |
| 7 (CH) | 128.7 |
| 8 (C) | 152.1 |
| 9 (CH2) | 42.8 |
| 10 (CH) | 80.9 |
| 11 (C) | 168.9 |
| 12 (C) | 127.3 |
| 13 (CH2) | 24.8 |
| 14 (CH2) | 33 |
| 15 (C) | 38.1 |
| 16 (CH3) | 34.4 |
| 17 (CH3) | 25.4 |
| 18 (C) | 172.5 |
| 19 (CH3) | 20.3 |
| 20 (CH2) | 115.4 |
