Spektraris NMR
Macrocalyxin H
Common Name: Macrocalyxin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O8/c1-11(23)29-10-21(27)12-4-5-13-19-9-30-22(28,20(13,8-12)17(21)26)16(25)15(19)18(2,3)7-6-14(19)24/h12-17,24-28H,4-10H2,1-3H3/t12-,13+,14+,15-,16+,17+,19-,20+,21-,22+/m1/s1
InChIKey: InChIKey=DRPDKTMPBLAEQA-DXCMTGLJSA-N
Formula: C22H34O8
Molecular Weight: 426.501415
Exact Mass: 426.225368
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 (CH) | 65.3 |
| 2 (CH2) | 27.7 |
| 3 (CH2) | 34.5 |
| 4 (C) | 34 |
| 5 (CH) | 53.7 |
| 6 (CH) | 74.7 |
| 7 (C) | 97.2 |
| 8 (C) | 52.9 |
| 9 (CH) | 36.8 |
| 10 (C) | 40.8 |
| 11 (CH2) | 14.8 |
| 12 (CH2) | 20 |
| 13 (CH) | 37.8 |
| 14 (CH2) | 25.8 |
| 15 (CH) | 73 |
| 16 (C) | 76.8 |
| 17 (CH2) | 71.7 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 23.1 |
| 20 (CH2) | 65.5 |
| 17a (C) | 171.1 |
| 17b (CH3) | 20.9 |
