Spektraris NMR
DO-III
Common Name: DO-III
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O4/c1-14(2)9-8-10-15(3)19-13-20(27-17(5)25)23(7)22(19)21-16(4)11-12-24(21,23)28-18(6)26/h9-10,16,19-22H,8,11-13H2,1-7H3/b15-10-/t16-,19+,20+,21+,22+,23+,24-/m1/s1
InChIKey: InChIKey=ULLROVGWICSZTK-UPLOWELPSA-N
Formula: C24H36O4
Molecular Weight: 388.541148
Exact Mass: 388.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kurata, K., Suzuki, M., Shiraishi, K., Taniguchi, K. Phytochemistry (1988) 27, 1321-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spatanes; 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) | 34.6 |
| 2 (CH2) | 33.2 |
| 3 (CH2) | 36.1 |
| 4 (C) | 51.2 |
| 5 (CH) | 77.9 |
| 6 (CH2) | 34.6 |
| 7 (CH) | 46.4 |
| 8 (CH) | 43.1 |
| 9 (CH) | 41.3 |
| 10 (C) | 88.4 |
| 11 (CH3) | 13.8 |
| 12 (CH3) | 23.7 |
| 13 (C) | 133.3 |
| 14 (CH3) | 13.7 |
| 15 (CH) | 126.6 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 123.3 |
| 18 (C) | 131.3 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 25.7 |
| 5a (C) | 170.1 |
| 5b (CH3) | 21.2 |
| 10a (C) | 170.2 |
| 10b (CH3) | 21.3 |
