Spektraris NMR
RumphiosideE
Common Name: RumphiosideE
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O15/c1-27(13-9-16(42-23(13)36)28(2)12(22(35)38-3)7-6-8-15(27)28)10-17(29(37)21(34)25(39-4)44-26(29)40-5)43-24-20(33)19(32)18(31)14(11-30)41-24/h7,13-21,24-26,30-34,37H,6,8-11H2,1-5H3/t13-,14+,15+,16-,17?,18+,19-,20+,21?,24-,25?,26?,27-,28+,29?/m0/s1
InChIKey: InChIKey=XHMGAAVQKICAHK-QDSOQBTESA-N
Formula: C29H44O15
Molecular Weight: 632.651808
Exact Mass: 632.268021
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Martin, T.S., Ohtani, K., Kasai, R., Yamasaki, K. Phytochemistry (1995) 40, 1729-36
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 16.6 |
| 2 (CH2) | 24.4 |
| 3 (CH) | 142.6 |
| 4 (C) | 134.7 |
| 5 (C) | 39.6 |
| 6 (CH) | 82.8 |
| 7 (CH2) | 30 |
| 8 (CH) | 46 |
| 9 (C) | 39.7 |
| 10 (CH) | 47 |
| 11 (CH2) | 40.5 |
| 12 (CH) | 76.4 |
| 13 (C) | 82 |
| 14 (CH) | 77.2 |
| 15 (CH) | 112.6 |
| 16 (CH) | 109.4 |
| 17 (C) | 178.9 |
| 18 (C) | 167 |
| 19 (CH3) | 21.2 |
| 20 (CH3) | 21.7 |
| 1' (CH) | 102.8 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.8 |
| 4' (CH) | 72.5 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63.3 |
| 15a (CH3) | 53.7 |
| 16a (CH3) | 55.7 |
| 18a (CH3) | 51.5 |
