Spektraris NMR
Xerophilusins J
Common Name: Xerophilusins J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O8/c1-9-11-5-6-12-20-13(29-10(2)23)7-8-19(3,4)14(20)17(26)22(28,30-18(20)27)21(12,15(9)24)16(11)25/h11-14,16-18,25-28H,1,5-8H2,2-4H3/t11-,12-,13-,14+,16+,17-,18?,20-,21-,22-/m0/s1
InChIKey: InChIKey=WASCTSNYBVCLTC-KJHKCAEZSA-N
Formula: C22H30O8
Molecular Weight: 422.469652
Exact Mass: 422.194068
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) | 77.3 |
| 2 (CH2) | 26.5 |
| 3 (CH2) | 40 |
| 4 (C) | 33.1 |
| 5 (CH) | 60.1 |
| 6 (CH) | 74.8 |
| 7 (C) | 99.7 |
| 8 (C) | 62.9 |
| 9 (CH) | 55.3 |
| 10 (C) | 44.2 |
| 11 (CH2) | 20.1 |
| 12 (CH2) | 30.9 |
| 13 (CH) | 43.4 |
| 14 (CH) | 73 |
| 15 (C) | 209.6 |
| 16 (C) | 153.2 |
| 17 (CH2) | 119.9 |
| 18 (CH3) | 35.7 |
| 19 (CH3) | 23.4 |
| 20 (CH) | 92.9 |
| 1a (C) | 170.4 |
| 1b (CH3) | 21.5 |
