Spektraris NMR
Xerophilusin XI
Common Name: Xerophilusin XI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H34O8/c1-11(24)31-14-8-12-13(9-29-4)18(26)22(17(12)25)15(14)21-7-5-6-20(2,3)16(21)19(27)23(22,28)30-10-21/h12-17,19,25,27-28H,5-10H2,1-4H3/t12-,13-,14-,15-,16+,17+,19-,21+,22+,23-/m0/s1
InChIKey: InChIKey=GRMLBPAIEMVEHI-WNMHGSSHSA-N
Formula: C23H34O8
Molecular Weight: 438.512151
Exact Mass: 438.225368
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) | 29.2 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 41.3 |
| 4 (C) | 34.1 |
| 5 (CH) | 60.4 |
| 6 (CH) | 73.7 |
| 7 (C) | 98 |
| 8 (C) | 62.4 |
| 9 (CH) | 54.1 |
| 10 (C) | 37.8 |
| 11 (CH) | 65 |
| 12 (CH2) | 38.1 |
| 13 (CH) | 39.3 |
| 14 (CH) | 76.2 |
| 15 (C) | 220.5 |
| 16 (CH) | 56.7 |
| 17 (CH2) | 74.4 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 22.4 |
| 20 (CH2) | 66.7 |
| 11a (C) | 169.9 |
| 11b (CH3) | 21.3 |
| 17a (CH3) | 58.3 |
