Spektraris NMR
Xerophilusin S
Common Name: Xerophilusin S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-19(2)4-3-5-20(9-22)14-11(15(23)16(24)17(19)20)6-10-7-13(14)26-18(25)12(10)8-21/h6,9-10,12-14,21,24H,3-5,7-8H2,1-2H3/t10-,12+,13-,14-,20+/m0/s1
InChIKey: InChIKey=DZYWCUBDWNAWCC-YBHCTERHSA-N
Formula: C20H24O6
Molecular Weight: 360.401726
Exact Mass: 360.157289
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 |
| 2 (CH2) | 17.2 |
| 3 (CH2) | 38.3 |
| 4 (C) | 36.2 |
| 5 (C) | 134.9 |
| 6 (C) | 149.5 |
| 7 (C) | 183.5 |
| 8 (C) | 130.5 |
| 9 (CH) | 52.3 |
| 10 (C) | 55.4 |
| 11 (CH) | 73.8 |
| 12 (CH2) | 23.5 |
| 13 (CH) | 28.8 |
| 14 (CH) | 138.9 |
| 15 (CH) | 47.3 |
| 16 (C) | 170.9 |
| 17 (CH2) | 64.2 |
| 18 (CH3) | 27.4 |
| 19 (CH3) | 27 |
| 20 (CH) | 203.6 |
