Spektraris NMR
7,11,14-Triacetyl macrocalyxin F
Common Name: 7,11,14-Triacetyl macrocalyxin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O9/c1-13-17-10-25(35-16(4)30)22-24(12-32-25)8-6-7-23(5,11-27)18(24)9-19(33-14(2)28)26(22,20(13)31)21(17)34-15(3)29/h11,17-19,21-22H,1,6-10,12H2,2-5H3/t17-,18+,19+,21?,22+,23+,24-,25-,26+/m0/s1
InChIKey: InChIKey=ZMINSWAUYOYWTJ-YIGNFYLYSA-N
Formula: C26H32O9
Molecular Weight: 488.527882
Exact Mass: 488.204633
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) | 36.3 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 31.2 |
| 4 (C) | 50 |
| 5 (CH) | 42.7 |
| 6 (CH2) | 26.2 |
| 7 (CH) | 72.4 |
| 8 (C) | 57.3 |
| 9 (CH) | 59.4 |
| 10 (C) | 47.6 |
| 11 (C) | 109.4 |
| 12 (CH2) | 42.7 |
| 13 (CH) | 41.8 |
| 14 (CH) | 73.6 |
| 15 (C) | 202.8 |
| 16 (C) | 148.7 |
| 17 (CH2) | 117.8 |
| 18 (CH) | 204.1 |
| 19 (CH3) | 13.3 |
| 20 (CH2) | 69.9 |
| 7a (C) | 170.5 |
| 7b (CH3) | 21.9 |
| 11a (C) | 169.8 |
| 11b (CH3) | 21.2 |
| 14a (C) | 169.5 |
| 14b (CH3) | 20.9 |
