Spektraris NMR
Xerophilusin A
Common Name: Xerophilusin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-9-11-8-12(27-10(2)23)13-20-7-5-6-19(3,4)14(20)16(25)22(26)21(13,15(9)24)17(11)28-18(20)29-22/h11-14,16-18,25-26H,1,5-8H2,2-4H3/t11-,12-,13-,14+,16-,17-,18?,20+,21-,22-/m0/s1
InChIKey: InChIKey=AFBNZCDGSSSCST-MSMSYLCJSA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
NMR Solvent: CD3COCD3
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) | 28.1 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 41.7 |
| 4 (C) | 34.1 |
| 5 (CH) | 63.2 |
| 6 (CH) | 72.7 |
| 7 (C) | 101 |
| 8 (C) | 56 |
| 9 (CH) | 52.7 |
| 10 (C) | 44 |
| 11 (CH) | 67.9 |
| 12 (CH2) | 32.7 |
| 13 (CH) | 39.4 |
| 14 (CH) | 70 |
| 15 (C) | 199.1 |
| 16 (C) | 150 |
| 17 (CH2) | 117.6 |
| 18 (CH3) | 31.5 |
| 19 (CH3) | 23.4 |
| 20 (CH) | 98.7 |
| 11a (C) | 170 |
| 11b (CH3) | 21.3 |
