Spektraris NMR
Xerophilusins I
Common Name: Xerophilusins I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-10-11-4-5-12-18-9-25-20(24,19(12,8-11)15(10)22)16(23)14(18)17(2,3)7-6-13(18)21/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12+,13-,14-,16+,18-,19+,20+/m1/s1
InChIKey: InChIKey=PXLVZESUZUOWAJ-RYZOWSHUSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hou, A.J., Zhao, Q.S., Li, M.L., Jiang, B., Lin, Z.W., Sun, H.D., Zhou, Y.P., Lu, Y., Zheng, Q.T. Phytochemistry (2001) 58, 179-83
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 (CH) | 64.8 |
| 2 (CH2) | 27.6 |
| 3 (CH2) | 34.5 |
| 4 (C) | 34.2 |
| 5 (CH) | 56.4 |
| 6 (CH) | 74.7 |
| 7 (C) | 96.4 |
| 8 (C) | 59.9 |
| 9 (CH) | 46 |
| 10 (C) | 41.4 |
| 11 (CH2) | 16.3 |
| 12 (CH2) | 30 |
| 13 (CH) | 35.3 |
| 14 (CH2) | 27 |
| 15 (C) | 211 |
| 16 (C) | 154.2 |
| 17 (CH2) | 116.2 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 23.1 |
| 20 (CH2) | 66 |
