Spektraris NMR
Oreskaurin A
Common Name: Oreskaurin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-10-12-6-13(24)15-21(7-12,17(10)26)19(27)29-9-22(15)14(25)4-5-20(3)8-28-18(16(20)22)30-11(2)23/h12-16,18,24-25H,1,4-9H2,2-3H3/t12-,13-,14-,15-,16-,18-,20+,21+,22+/m1/s1
InChIKey: InChIKey=XESCNAZYJNKEGK-WSNWWDQLSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
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 : Trichorabales; 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) | 71 |
| 2 (CH2) | 23.4 |
| 3 (CH2) | 26 |
| 4 (C) | 41.3 |
| 5 (CH) | 54.4 |
| 6 (CH) | 101.2 |
| 7 (C) | 170.8 |
| 8 (C) | 53.5 |
| 9 (CH) | 43.7 |
| 10 (C) | 40.1 |
| 11 (CH) | 64.9 |
| 12 (CH2) | 41.9 |
| 13 (CH) | 34.6 |
| 14 (CH2) | 34.6 |
| 15 (C) | 199.5 |
| 16 (C) | 151.8 |
| 17 (CH2) | 118.2 |
| 18 (CH3) | 21.7 |
| 19 (CH2) | 78.3 |
| 20 (CH2) | 71 |
| 6a (C) | 169.8 |
| 6b (CH3) | 20.5 |
