Spektraris NMR
3β-Acetoxyclerodinin D
Common Name: 3β-Acetoxyclerodinin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O10/c1-7-32-24-12-19-11-22(37-25(19)38-24)26(6)15(2)10-23(36-18(5)31)27(13-33-16(3)29)20(26)8-9-21(35-17(4)30)28(27)14-34-28/h15,19-25H,7-14H2,1-6H3/t15-,19+,20-,21+,22+,23+,24-,25-,26+,27+,28-/m1/s1
InChIKey: InChIKey=KELWGSSLXXIRKR-ANBJSBCDSA-N
Formula: C28H42O10
Molecular Weight: 538.628166
Exact Mass: 538.277798
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) | 21.1 |
| 2 (CH2) | 31 |
| 3 (CH) | 67.2 |
| 4 (C) | 65.3 |
| 5 (C) | 46.3 |
| 6 (CH) | 71.3 |
| 7 (CH2) | 33.2 |
| 8 (CH) | 36 |
| 9 (C) | 40.3 |
| 10 (CH) | 47.6 |
| 11 (CH) | 83.4 |
| 12 (CH2) | 32.7 |
| 13 (CH) | 40.7 |
| 14 (CH2) | 39.6 |
| 15 (CH) | 103.9 |
| 16 (CH) | 109.1 |
| 17 (CH3) | 16.3 |
| 18 (CH2) | 42.6 |
| 19 (CH2) | 61.4 |
| 20 (CH3) | 14 |
| 3a (C) | 171.1 |
| 3b (CH3) | 21.1 |
| 6a (C) | 170 |
| 6b (CH3) | 21 |
| 15a (CH2) | 63.1 |
| 15b (CH3) | 15.1 |
| 19a (C) | 169.6 |
| 19b (CH3) | 20.9 |
