Spektraris NMR
Cespihypotin Q
Common Name: Cespihypotin Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-14-7-8-16-9-10-18-19(21(16,3)4)22(25-6,26-20(18)24-5)13-15(2)12-17(23)11-14/h12,16-17,20,23H,1,7-11,13H2,2-6H3/b15-12+/t16-,17+,20-,22-/m1/s1
InChIKey: InChIKey=XFWZSUKBNFVIMQ-AKVZJHEWSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
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) | 44.4 |
| 2 (CH2) | 32.6 |
| 3 (CH2) | 34 |
| 4 (C) | 146.9 |
| 5 (CH2) | 44.2 |
| 6 (CH) | 68.7 |
| 7 (CH) | 134.2 |
| 8 (C) | 133.6 |
| 9 (CH2) | 49.1 |
| 10 (C) | 115.2 |
| 11 (C) | 141.7 |
| 12 (C) | 136.5 |
| 13 (CH2) | 19 |
| 14 (CH2) | 25.1 |
| 15 (C) | 35.5 |
| 16 (CH3) | 35.5 |
| 17 (CH3) | 24.5 |
| 18 (CH) | 106.4 |
| 19 (CH3) | 16.6 |
| 20 (CH2) | 114.1 |
| 10a (CH3) | 49.7 |
| 18a (CH3) | 55.3 |
