Spektraris NMR
Crassocolide D
Common Name: Crassocolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13-7-5-8-14(2)11-17-16(15(3)19(22)24-17)12-18(21)20(4,23)10-6-9-13/h8-9,16-18,21,23H,3,5-7,10-12H2,1-2,4H3/b13-9+,14-8+/t16-,17+,18+,20-/m1/s1
InChIKey: InChIKey=HZAPTPBMBOIGCM-SFQXUBQZSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
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) | 41.7 |
| 2 (CH2) | 36.1 |
| 3 (CH) | 75.2 |
| 4 (C) | 74.2 |
| 5 (CH2) | 37.6 |
| 6 (CH2) | 22.3 |
| 7 (CH) | 125.6 |
| 8 (C) | 136.9 |
| 9 (CH2) | 38.1 |
| 10 (CH2) | 24.2 |
| 11 (CH) | 128.2 |
| 12 (C) | 130.5 |
| 13 (CH2) | 44.9 |
| 14 (CH) | 80.9 |
| 15 (C) | 139.3 |
| 16 (C) | 170.3 |
| 17 (CH2) | 123.1 |
| 18 (CH3) | 25.8 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 17.5 |
