Spektraris NMR
Crassocolide A
Common Name: Crassocolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-13-8-6-10-14(2)19(27-16(4)23)20-17(15(3)21(25)28-20)12-18(24)22(5,26)11-7-9-13/h9-10,17-20,24,26H,3,6-8,11-12H2,1-2,4-5H3/b13-9+,14-10+/t17-,18+,19+,20-,22-/m1/s1
InChIKey: InChIKey=LOBTUTHTMBAWQV-RCJCYISHSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
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) | 36.1 |
| 2 (CH2) | 36.6 |
| 3 (CH) | 74.9 |
| 4 (C) | 74.3 |
| 5 (CH2) | 37.5 |
| 6 (CH2) | 22.4 |
| 7 (CH) | 125.4 |
| 8 (C) | 136.7 |
| 9 (CH2) | 38 |
| 10 (CH2) | 24 |
| 11 (CH) | 127.4 |
| 12 (C) | 130.4 |
| 13 (CH) | 76.4 |
| 14 (CH) | 80.9 |
| 15 (C) | 139 |
| 16 (C) | 170 |
| 17 (CH2) | 122.6 |
| 18 (CH3) | 25.6 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 15.2 |
| 13a (C) | 169.5 |
| 13b (CH3) | 20.8 |
