Spektraris NMR
Cespihypotin K
Common Name: Cespihypotin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-13-6-9-15-10-8-14(2)18(19(15,3)4)16(21)12-20(5)17(22-20)11-7-13/h15-17,21H,1,6-12H2,2-5H3/t15-,16-,17+,20+/m1/s1
InChIKey: InChIKey=MIWIEPRKDYJOAK-WWNBULGVSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.-C., Wu, Y.-R., Lin, J.-J., Lo, K.-L., Kuo, Y.-C., Khalil, A.T. Tetrahedron (2007) 63, 10914-20
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) | 42.6 |
| 2 (CH2) | 27 |
| 3 (CH2) | 31.9 |
| 4 (C) | 151.2 |
| 5 (CH2) | 29.7 |
| 6 (CH2) | 30.3 |
| 7 (CH) | 65.2 |
| 8 (C) | 59.5 |
| 9 (CH2) | 47.9 |
| 10 (CH) | 67.1 |
| 11 (C) | 140.2 |
| 12 (C) | 133.9 |
| 13 (CH2) | 33.8 |
| 14 (CH2) | 31.8 |
| 15 (C) | 37.1 |
| 16 (CH3) | 24.9 |
| 17 (CH3) | 33.4 |
| 18 (CH3) | 21.7 |
| 19 (CH3) | 17.2 |
| 20 (CH2) | 109.6 |
