Spektraris NMR
Cespihypotin U
Common Name: Cespihypotin U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-11-5-6-12-7-8-13-16(19(12,2)3)15(23-18(13)22)10-20(4)17(24-20)14(21)9-11/h12,14-15,17,21H,1,5-10H2,2-4H3/t12-,14+,15-,17+,20-/m1/s1
InChIKey: InChIKey=SMGIARQMSXVWAY-VMLCALGTSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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) | 42.1 |
| 2 (CH2) | 31.3 |
| 3 (CH2) | 31.9 |
| 4 (C) | 144.7 |
| 5 (CH2) | 41 |
| 6 (CH) | 71.2 |
| 7 (CH) | 70.4 |
| 8 (C) | 61.2 |
| 9 (CH2) | 40.9 |
| 10 (CH) | 79 |
| 11 (C) | 169.2 |
| 12 (C) | 128.1 |
| 13 (CH2) | 19 |
| 14 (CH2) | 23.4 |
| 15 (C) | 35.9 |
| 16 (CH3) | 23.9 |
| 17 (CH3) | 33.9 |
| 18 (C) | 172.4 |
| 19 (CH3) | 19.2 |
| 20 (CH2) | 113.9 |
