Spektraris NMR
Przewalskin A
Common Name: Przewalskin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O7/c1-10(2)12-9-13-15(17(26)14(11(3)24)16(12)25)22-8-6-7-21(4,5)18(22)19(27)23(13,29)30-20(22)28/h9-10,18-20,25,27-29H,6-8H2,1-5H3/t18-,19+,20+,22-,23-/m0/s1
InChIKey: InChIKey=SJSRXHCKBJSSDY-FCSJJDFTSA-N
Formula: C23H30O7
Molecular Weight: 418.480983
Exact Mass: 418.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, G., Hou, A.J., Wang, R.R., Liang, Q.Y., Zheng, Y.T., Liu, Z.Y., Li, X.L., Zhao, Y., Huang, S.X., Peng, L.Y., Zhao, Q.S. Org Lett (2006) 8, 4453-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Hassananes; 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) | 27.8 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 41.7 |
| 4 (C) | 34.3 |
| 5 (CH) | 55.4 |
| 6 (CH) | 70.1 |
| 7 (C) | 75.3 |
| 8 (C) | 138.8 |
| 9 (C) | 147.9 |
| 10 (C) | 48.3 |
| 11 (C) | 189.7 |
| 12 (C) | 120.9 |
| 13 (C) | 173.7 |
| 14 (C) | 146.2 |
| 15 (CH) | 133.4 |
| 16 (CH) | 30.5 |
| 17 (CH3) | 22.9 |
| 18 (CH3) | 22.7 |
| 19 (CH3) | 34 |
| 20 (CH3) | 23.2 |
| 21 (CH) | 90.9 |
| 22 (C) | 205.5 |
| 23 (CH3) | 28.5 |
