Spektraris NMR
Xerophilusin R
Common Name: Xerophilusin R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-10-11-7-12-14(13(8-11)25-18(10)24)20(9-21)6-4-5-19(2,3)17(20)16(23)15(12)22/h7,9,11,13-14,23H,1,4-6,8H2,2-3H3/t11-,13-,14-,20+/m0/s1
InChIKey: InChIKey=KLSIFHGBQILXLA-VMLLCUDRSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Niu, X.M., Li, S.H., Na, Z., Lin, Z.W., Sun, H.D. Helv Chim Acta (2004) 87, 1951-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 27 |
| 2 (CH2) | 17 |
| 3 (CH2) | 38.2 |
| 4 (C) | 36.1 |
| 5 (C) | 134.4 |
| 6 (C) | 149.4 |
| 7 (C) | 183.1 |
| 8 (C) | 130.4 |
| 9 (CH) | 51.8 |
| 10 (C) | 55.3 |
| 11 (CH) | 73.3 |
| 12 (CH2) | 26.9 |
| 13 (CH) | 33.8 |
| 14 (CH) | 135.9 |
| 15 (C) | 134.8 |
| 16 (C) | 163.3 |
| 17 (CH2) | 127.6 |
| 18 (CH3) | 27.2 |
| 19 (CH3) | 26.8 |
| 20 (CH) | 203.3 |
