Spektraris NMR
Diterpene DO-I
Common Name: Diterpene DO-I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-13(2)7-6-8-14(3)16-10-11-19(5)18(16)17-15(4)9-12-20(17,19)21/h7,15-18,21H,3,6,8-12H2,1-2,4-5H3/t15-,16+,17+,18+,19+,20-/m1/s1
InChIKey: InChIKey=QXUNIZJCCOTKBE-MPRNQXESSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
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) | 31.2 |
| 3 (CH2) | 36.5 |
| 4 (C) | 47.9 |
| 5 (CH2) | 15.1 |
| 6 (CH2) | 26.4 |
| 7 (CH) | 54.8 |
| 8 (CH) | 44.4 |
| 9 (CH) | 43.7 |
| 10 (C) | 93.7 |
| 11 (CH3) | 17.5 |
| 12 (CH3) | 20.7 |
| 13 (C) | 148.4 |
| 14 (CH2) | 109.8 |
| 15 (CH2) | 33.5 |
| 16 (CH2) | 27.2 |
| 17 (CH) | 124.4 |
| 18 (C) | 131.4 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 25.7 |
