Spektraris NMR
Dihydroclerodin-I
Common Name: Dihydroclerodin-I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h14,17-21H,5-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1
InChIKey: InChIKey=GLFMZGODSSXZRK-NVSXQWMQSA-N
Formula: C24H36O7
Molecular Weight: 436.539363
Exact Mass: 436.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Beauchamp, P.S., Bottini, A.T., Caselles, M.C., Dev, V., Hope, H., Larter, M., Lee, G., Mathela, C.S., Melkani, A.B., Millar, P.D., Miyatake, M., Pant, A.K., Raffel, R.J., Sharma, V.K., Wyatt, D. Phytochemistry (1996) 43, 827-34
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 25 |
| 2 (CH2) | 22.1 |
| 3 (CH2) | 32.4 |
| 4 (C) | 65 |
| 5 (C) | 45.5 |
| 6 (CH) | 71.9 |
| 7 (CH2) | 32.5 |
| 8 (CH) | 35.8 |
| 9 (C) | 40.5 |
| 10 (CH) | 48.2 |
| 11 (CH) | 85.2 |
| 12 (CH2) | 33.4 |
| 13 (CH) | 42.1 |
| 14 (CH2) | 32.7 |
| 15 (CH2) | 68.3 |
| 16 (CH) | 107.7 |
| 17 (CH3) | 16.5 |
| 18 (CH2) | 48.4 |
| 19 (CH2) | 61.7 |
| 20 (CH3) | 14 |
| 6a (C) | 170.9 |
| 6b (CH3) | 21.1 |
| 19a (C) | 170.1 |
| 19b (CH3) | 21.1 |
