Spektraris NMR
Cespihypotin O
Common Name: Cespihypotin O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-13-6-7-15-8-9-19-17(24-5)25-20(23,12-14(2)11-16(22)10-13)21(19,26-19)18(15,3)4/h11,15-17,22-23H,1,6-10,12H2,2-5H3/b14-11+/t15-,16+,17+,19-,20-,21-/m1/s1
InChIKey: InChIKey=XERAFJSRTHPUGI-HUGDDUSFSA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, Y.B., Lo, K.L., Chen, C.Y., Khalil, A.T., Shen, Y.C. Helv Chim Acta (2008) 91, 2308-15
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) | 44.2 |
| 2 (CH2) | 26.2 |
| 3 (CH2) | 37.8 |
| 4 (C) | 145.8 |
| 5 (CH2) | 45.8 |
| 6 (CH) | 69.3 |
| 7 (CH) | 133.3 |
| 8 (C) | 132.7 |
| 9 (CH2) | 41 |
| 10 (C) | 94.3 |
| 11 (C) | 72.8 |
| 12 (C) | 78.2 |
| 13 (CH2) | 31.5 |
| 14 (CH2) | 33.9 |
| 15 (C) | 37.5 |
| 16 (CH3) | 26 |
| 17 (CH3) | 25.1 |
| 18 (CH) | 104.6 |
| 19 (CH3) | 17.4 |
| 20 (CH2) | 115.7 |
| 18a (CH3) | 56.5 |
