Spektraris NMR
Macrocalyxin F
Common Name: Macrocalyxin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-10-11-7-19(25)16-18(9-26-19)5-3-4-17(2,8-21)12(18)6-13(22)20(16,14(10)23)15(11)24/h8,11-13,15-16,22,24-25H,1,3-7,9H2,2H3/t11-,12+,13+,15?,16+,17+,18-,19+,20+/m0/s1
InChIKey: InChIKey=NKDRBUKCHKPTOC-RNQRMVBTSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, X.R., Wang, H.P., Hu, H.P., Sun, H.D., Wang, S.Q., Ueda, S., Kuroda, Y., Fujita, T. Phytochemistry (1995) 38, 921-6
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) | 38.2 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 31.7 |
| 4 (C) | 50.5 |
| 5 (CH) | 43.4 |
| 6 (CH2) | 31.3 |
| 7 (CH) | 73.9 |
| 8 (C) | 57.7 |
| 9 (CH) | 62.1 |
| 10 (C) | 48.9 |
| 11 (C) | 103.7 |
| 12 (CH2) | 46.1 |
| 13 (CH) | 44.6 |
| 14 (CH) | 74 |
| 15 (C) | 208.2 |
| 16 (C) | 152.9 |
| 17 (CH2) | 116.7 |
| 18 (CH) | 205.3 |
| 19 (CH3) | 13.8 |
| 20 (CH2) | 69 |
