Spektraris NMR
RumphiosideA
Common Name: RumphiosideA
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O13/c1-26-9-14(11-7-18(29)40-22(11)33)37-24(35)13(26)8-17(27(2)12(23(34)36-3)5-4-6-16(26)27)39-25-21(32)20(31)19(30)15(10-28)38-25/h5,7,13-21,25,28-32H,4,6,8-10H2,1-3H3/t13-,14-,15+,16+,17+,18?,19+,20-,21+,25-,26+,27+/m0/s1
InChIKey: InChIKey=AWJJHUWOCLBMBI-VJBVOCEPSA-N
Formula: C27H36O13
Molecular Weight: 568.568
Exact Mass: 568.215591
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) | 16.8 |
| 2 (CH2) | 24 |
| 3 (CH) | 141.5 |
| 4 (C) | 136.3 |
| 5 (C) | 40.6 |
| 6 (CH) | 78.1 |
| 7 (CH2) | 29.2 |
| 8 (CH) | 46.6 |
| 9 (C) | 35.6 |
| 10 (CH) | 36.9 |
| 11 (CH2) | 40.6 |
| 12 (CH) | 70.1 |
| 13 (C) | 136.9 |
| 14 (CH) | 146.1 |
| 15 (CH) | 99 |
| 16 (C) | 169.8 |
| 17 (C) | 173 |
| 18 (C) | 167.5 |
| 19 (CH3) | 21.1 |
| 20 (CH3) | 27.5 |
| 1' (CH) | 105.7 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.1 |
| 4' (CH) | 70.3 |
| 5' (CH) | 77 |
| 6' (CH2) | 62 |
| 18a (CH3) | 51.5 |
