Spektraris NMR
Crassocolide F
Common Name: Crassocolide F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-13-6-10-18(25-16(4)23)14(2)8-9-17-15(3)21(24)26-19(17)12-22(5)20(27-22)11-7-13/h6,8,17-20H,3,7,9-12H2,1-2,4-5H3/b13-6+,14-8+/t17-,18-,19+,20-,22-/m1/s1
InChIKey: InChIKey=RMBPSPOHCQUDAH-YKLLXGSJSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
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) | 44.1 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 124.4 |
| 4 (C) | 136.3 |
| 5 (CH) | 79.1 |
| 6 (CH2) | 30.3 |
| 7 (CH) | 120.4 |
| 8 (C) | 135.7 |
| 9 (CH2) | 36.7 |
| 10 (CH2) | 24.2 |
| 11 (CH) | 61.5 |
| 12 (C) | 60.8 |
| 13 (CH2) | 44.9 |
| 14 (CH) | 80.1 |
| 15 (C) | 137.2 |
| 16 (C) | 170.1 |
| 17 (CH2) | 122.5 |
| 18 (CH3) | 11.4 |
| 19 (CH3) | 15.1 |
| 20 (CH3) | 17.6 |
| 5a (C) | 170.4 |
| 5b (CH3) | 21.6 |
