Spektraris NMR
Maoecrystal P
Common Name: Maoecrystal P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-9-10-4-5-11-19(7-10,16(9)23)17(24)14(22)15-18(2,3)13-6-12(21)20(11,15)8-25-13/h10-11,13,22H,1,4-8H2,2-3H3/t10-,11-,13-,19+,20-/m1/s1
InChIKey: InChIKey=PTXBJCCXMBZGPW-ZUIFNPILSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, J., Lin, Z.W., Zhao, Q.S., Sun, H.D. Phytochemistry (1998) 47, 307-9
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 (C) | 205.4 |
| 2 (CH2) | 41.9 |
| 3 (CH) | 78 |
| 4 (C) | 40.9 |
| 5 (C) | 133.4 |
| 6 (C) | 147 |
| 7 (C) | 192.9 |
| 8 (C) | 59.7 |
| 9 (CH) | 32.6 |
| 10 (C) | 54.9 |
| 11 (CH2) | 19.6 |
| 12 (CH2) | 30.8 |
| 13 (CH) | 38 |
| 14 (CH2) | 38.1 |
| 15 (C) | 203.4 |
| 16 (C) | 149 |
| 17 (CH2) | 116 |
| 18 (CH3) | 23.4 |
| 19 (CH3) | 22 |
| 20 (CH2) | 66.9 |
