Spektraris NMR
RumphiosideB
Common Name: RumphiosideB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O13/c1-27-10-15(12-8-19(36-3)41-23(12)33)38-25(35)14(27)9-18(28(2)13(24(34)37-4)6-5-7-17(27)28)40-26-22(32)21(31)20(30)16(11-29)39-26/h6,8,14-22,26,29-32H,5,7,9-11H2,1-4H3/t14-,15-,16+,17+,18+,19?,20+,21-,22+,26-,27+,28+/m0/s1
InChIKey: InChIKey=LHJOVBWBRJEPLA-FWRVJTABSA-N
Formula: C28H38O13
Molecular Weight: 582.594618
Exact Mass: 582.231241
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) | 141.6 |
| 4 (C) | 136.3 |
| 5 (C) | 40.7 |
| 6 (CH) | 78.1 |
| 7 (CH2) | 29.2 |
| 8 (CH) | 46.6 |
| 9 (C) | 35.6 |
| 10 (CH) | 37 |
| 11 (CH2) | 40.6 |
| 12 (CH) | 70.2 |
| 13 (C) | 138 |
| 14 (CH) | 144.1 |
| 15 (CH) | 103.4 |
| 16 (C) | 169 |
| 17 (C) | 173 |
| 18 (C) | 167.5 |
| 19 (CH3) | 27.7 |
| 20 (CH3) | 21.5 |
| 1' (CH) | 105.6 |
| 2' (CH) | 77.1 |
| 3' (CH) | 78.1 |
| 4' (CH) | 75.4 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 62.1 |
| 15a (CH3) | 56.7 |
| 18a (CH3) | 51.5 |
