Spektraris NMR
Oryzadione
Common Name: Oryzadione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-17(2)13-7-8-20-9-11(19(4)16(20)23-19)5-6-14(20)18(13,3)10-12(21)15(17)22/h10-11,13-14,16,21H,5-9H2,1-4H3/t11-,13-,14+,16+,18-,19+,20-/m1/s1
InChIKey: InChIKey=BVGXLBCWHVMVEU-YUFKQLNMSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kono, Y., Kojima, A., Nagai, R., Watanabe, M., Kawashima, T., Onizawa, T., Teraoka, T., Watanab, M., Koshino, H., Uzawa, J., Suzuki, Y., Sakurai, A. Phytochemistry (2004) 65, 1291-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 128.3 |
| 2 (C) | 144.2 |
| 3 (C) | 201 |
| 4 (C) | 44 |
| 5 (CH) | 53.7 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 35.1 |
| 8 (C) | 43.9 |
| 9 (CH) | 45.5 |
| 10 (C) | 39.9 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 38.9 |
| 14 (CH2) | 32.5 |
| 15 (CH) | 67.6 |
| 16 (C) | 61.3 |
| 17 (CH3) | 14.5 |
| 18 (CH3) | 27.5 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 22 |
