Spektraris NMR
Xerophilusin XIII
Common Name: Xerophilusin XIII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O8/c1-10-12-9-13(30-11(2)24)14-21-8-6-7-20(3,4)15(21)18(27)23(28,31-19(21)29-5)22(14,16(10)25)17(12)26/h12-15,17-19,26-28H,1,6-9H2,2-5H3/t12-,13-,14-,15+,17+,18-,19?,21+,22-,23-/m0/s1
InChIKey: InChIKey=CWUBYYIFICODJA-PCSZVLHWSA-N
Formula: C23H32O8
Molecular Weight: 436.496269
Exact Mass: 436.209718
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 (CH2) | 31.9 |
| 2 (CH2) | 20.2 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.2 |
| 5 (CH) | 58.5 |
| 6 (CH) | 73.9 |
| 7 (C) | 99.8 |
| 8 (C) | 62.7 |
| 9 (CH) | 56.6 |
| 10 (C) | 41.5 |
| 11 (CH) | 66.4 |
| 12 (CH2) | 37.7 |
| 13 (CH) | 43.2 |
| 14 (CH) | 72.7 |
| 15 (C) | 207.2 |
| 16 (C) | 151.6 |
| 17 (CH2) | 121.1 |
| 18 (CH3) | 35.9 |
| 19 (CH3) | 23.2 |
| 20 (CH) | 104.8 |
| 11a (C) | 169.9 |
| 11b (CH3) | 21.4 |
| 20a (CH3) | 55 |
