Spektraris NMR
Crassocolide E
Common Name: Crassocolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-13-6-5-7-14(2)9-11-18-20(4,23-18)12-17-16(10-8-13)15(3)19(21)22-17/h7-8,16-18H,3,5-6,9-12H2,1-2,4H3/b13-8+,14-7+/t16-,17+,18-,20-/m1/s1
InChIKey: InChIKey=YOAADYNXXZGBQN-OPNQMTJSSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Huang, H.C., Ahmed, A.F., Su, J.H., Chao, C.H., Wu, Y.C., Chiang, M.Y., Sheu, J.H. J Nat Prod (2006) 69, 1554-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 28.4 |
| 3 (CH) | 119.6 |
| 4 (C) | 138.5 |
| 5 (CH2) | 39.1 |
| 6 (CH2) | 24.4 |
| 7 (CH) | 125.6 |
| 8 (C) | 133.3 |
| 9 (CH2) | 36.6 |
| 10 (CH2) | 24 |
| 11 (CH) | 61.5 |
| 12 (C) | 60.5 |
| 13 (CH2) | 45.1 |
| 14 (CH) | 80.1 |
| 15 (C) | 138 |
| 16 (C) | 170.2 |
| 17 (CH2) | 121.9 |
| 18 (CH3) | 14.8 |
| 19 (CH3) | 14.9 |
| 20 (CH3) | 17.5 |
