Spektraris NMR
Oreskaurin B
Common Name: Oreskaurin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-10-12-8-21(17(10)24)15(14-13(12)28-14)20-7-5-6-19(3,4)16(20)18(27-11(2)23)22(21,25)26-9-20/h12-18,24-25H,1,5-9H2,2-4H3/t12-,13+,14+,15+,16?,17-,18+,20-,21+,22-/m1/s1
InChIKey: InChIKey=ZRKVMXWMNDIJCN-RPPHSYCISA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiang, W., Li, R.T., Wang, Z.Y., Li, S.H., Zhao, Q.S., Zhang, H.J., Sun, H.D. Phytochemistry (2004) 65, 1173-7
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 (CH2) | 29.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 40.6 |
| 4 (C) | 33.3 |
| 5 (CH) | 58.1 |
| 6 (CH) | 74.4 |
| 7 (C) | 96 |
| 8 (C) | 51.2 |
| 9 (CH) | 41 |
| 10 (C) | 37.1 |
| 11 (CH) | 50.4 |
| 12 (CH) | 53.2 |
| 13 (CH) | 38 |
| 14 (CH2) | 26.3 |
| 15 (CH) | 74.4 |
| 16 (C) | 153.1 |
| 17 (CH2) | 109.1 |
| 18 (CH3) | 31.7 |
| 19 (CH3) | 21.2 |
| 20 (CH2) | 67.6 |
| 6a (C) | 168.8 |
| 6b (CH3) | 21.1 |
