Spektraris NMR
Xerophilusin VIII
Common Name: Xerophilusin VIII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O9/c1-9-11-4-12(24)15-20-8-31-22(29,21(15,6-11)17(9)27)18(28)16(20)19(3,7-30-10(2)23)13(25)5-14(20)26/h11-16,18,24-26,28-29H,1,4-8H2,2-3H3/t11-,12-,13-,14-,15+,16-,18+,19-,20+,21+,22+/m1/s1
InChIKey: InChIKey=HBHDFCQEBUVCSW-RDRVMWSJSA-N
Formula: C22H30O9
Molecular Weight: 438.469057
Exact Mass: 438.188983
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, L.-M., Weng, Z.-Y., Huang, S.-X., Pu, J.-X., Li, S.-H., Huang, H., Yang, B.-B., Han, Y, Xiao, W.-L., Li, M.-L., Han, Q.-B., Sun, H.-D. J Nat Prod (2007) 70, 1295-301
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) | 68.8 |
| 2 (CH2) | 31.4 |
| 3 (CH) | 71.7 |
| 4 (C) | 43.4 |
| 5 (CH) | 53 |
| 6 (CH) | 74.2 |
| 7 (C) | 96.9 |
| 8 (C) | 59.8 |
| 9 (CH) | 50.1 |
| 10 (C) | 43.2 |
| 11 (CH) | 66.1 |
| 12 (CH2) | 41.5 |
| 13 (CH) | 35.1 |
| 14 (CH2) | 28 |
| 15 (C) | 212.2 |
| 16 (C) | 154.6 |
| 17 (CH2) | 115 |
| 18 (CH3) | 22.9 |
| 19 (CH2) | 67.8 |
| 20 (CH2) | 68.7 |
| 19a (C) | 170.8 |
| 19b (CH3) | 20.7 |
