Spektraris NMR
Xerophilusin B
Common Name: Xerophilusin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-9-10-5-6-11-18-8-4-7-17(2,3)12(18)14(22)20(23)19(11,13(9)21)15(10)24-16(18)25-20/h10-12,14-16,22-23H,1,4-8H2,2-3H3/t10-,11-,12+,14-,15-,16?,18+,19-,20-/m0/s1
InChIKey: InChIKey=ZKUQCTVJZQFAKY-HRYXCXHTSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hou, A.J., Li, M.L., Jiang, B., Lin, Z.W., Ji, S.Y., Zhou, Y.P., Sun, H.D. J Nat Prod (2000) 63, 599-601
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) | 27.7 |
| 2 (CH2) | 19 |
| 3 (CH2) | 41.4 |
| 4 (C) | 33.8 |
| 5 (CH) | 63.4 |
| 6 (CH) | 73 |
| 7 (C) | 101.6 |
| 8 (C) | 57.7 |
| 9 (CH) | 45.5 |
| 10 (C) | 43.1 |
| 11 (CH2) | 17.3 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 40.3 |
| 14 (CH) | 70.1 |
| 15 (C) | 199.9 |
| 16 (C) | 149.1 |
| 17 (CH2) | 118.3 |
| 18 (CH3) | 31.7 |
| 19 (CH3) | 23.4 |
| 20 (CH) | 98.1 |
