Spektraris NMR
Clerodinins D
Common Name: Clerodinins D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O8/c1-6-29-22-12-18-11-20(33-23(18)34-22)24(5)15(2)10-21(32-17(4)28)26(14-30-16(3)27)19(24)8-7-9-25(26)13-31-25/h15,18-23H,6-14H2,1-5H3/t15-,18+,19-,20+,21+,22+,23-,24+,25+,26+/m1/s1
InChIKey: InChIKey=NNGXCYCJTUSCQE-WQTTYCOWSA-N
Formula: C26H40O8
Molecular Weight: 480.592003
Exact Mass: 480.272318
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) | 22.2 |
| 3 (CH2) | 32.2 |
| 4 (C) | 65 |
| 5 (C) | 45.6 |
| 6 (CH) | 71.9 |
| 7 (CH2) | 33.4 |
| 8 (CH) | 36.2 |
| 9 (C) | 40.1 |
| 10 (CH) | 48.5 |
| 11 (CH) | 83.6 |
| 12 (CH2) | 32.7 |
| 13 (CH) | 40 |
| 14 (CH2) | 38.2 |
| 15 (CH) | 103.6 |
| 16 (CH) | 107.1 |
| 17 (CH3) | 16.4 |
| 18 (CH2) | 48.4 |
| 19 (CH2) | 61.7 |
| 20 (CH3) | 14 |
| 6a (C) | 170.9 |
| 6b (CH3) | 21.2 |
| 15a (CH2) | 62.8 |
| 15b (CH3) | 15.1 |
| 19a (C) | 170.1 |
| 19b (CH3) | 21.2 |
