Spektraris NMR
Macrocalyxin B
Common Name: Macrocalyxin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-11-12-8-20(26-3)17-19(10-27-20)6-4-5-18(2,9-22)13(19)7-14(23)21(17,15(11)24)16(12)25/h9,12-14,16-17,23,25H,1,4-8,10H2,2-3H3/t12-,13+,14+,16?,17+,18+,19-,20+,21+/m0/s1
InChIKey: InChIKey=WGCKEVDKYAWWFQ-AZGWUIPDSA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
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) | 38.1 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 31.5 |
| 4 (C) | 50.5 |
| 5 (CH) | 43.5 |
| 6 (CH2) | 31.2 |
| 7 (CH) | 73.7 |
| 8 (C) | 57.4 |
| 9 (CH) | 61.5 |
| 10 (C) | 48.6 |
| 11 (C) | 106.3 |
| 12 (CH2) | 40.5 |
| 13 (CH) | 44.5 |
| 14 (CH) | 73.5 |
| 15 (C) | 207.6 |
| 16 (C) | 152.3 |
| 17 (CH2) | 117.4 |
| 18 (CH) | 205.1 |
| 19 (CH3) | 13.6 |
| 20 (CH2) | 69.5 |
| 11a (CH3) | 47.3 |
