Spektraris NMR
Cespihypotin I
Common Name: Cespihypotin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-13-6-7-16-8-9-20-18(26-15(3)23)27-21(25,12-14(2)11-17(24)10-13)22(20,28-20)19(16,4)5/h11,16-18,24-25H,1,6-10,12H2,2-5H3/p+1/b14-11+/t16-,17+,18+,20-,21-,22-/m1/s1
InChIKey: InChIKey=CMJANKGYCHNBQY-SBJOWSEZSA-O
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
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) | 44.1 |
| 2 (CH2) | 25.4 |
| 3 (CH2) | 37.8 |
| 4 (C) | 145.8 |
| 5 (CH2) | 45.9 |
| 6 (CH) | 69.3 |
| 7 (CH) | 133.6 |
| 8 (C) | 132.5 |
| 9 (CH2) | 40.8 |
| 10 (C) | 94.7 |
| 11 (C) | 72.5 |
| 12 (C) | 79.7 |
| 13 (CH2) | 26.3 |
| 14 (CH2) | 33.9 |
| 15 (C) | 37.7 |
| 16 (CH3) | 26.4 |
| 17 (CH3) | 25.2 |
| 18 (CH) | 100.9 |
| 19 (CH3) | 17.3 |
| 20 (CH2) | 115.8 |
| 18a (C) | 170.1 |
| 18b (CH3) | 20.9 |
