Spektraris NMR
RumphiosideC
Common Name: RumphiosideC
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O15/c1-27-10-17(29(37)21(34)25(39-4)44-26(29)40-5)42-23(36)13(27)9-16(28(2)12(22(35)38-3)7-6-8-15(27)28)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=DVRWWIZHWDSNQB-QRRUJUQESA-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) | 16.4 |
| 2 (CH2) | 23.9 |
| 3 (CH) | 141.3 |
| 4 (C) | 136.7 |
| 5 (C) | 40.4 |
| 6 (CH) | 78.2 |
| 7 (CH2) | 28.5 |
| 8 (CH) | 46.6 |
| 9 (C) | 35.6 |
| 10 (CH) | 36.9 |
| 11 (CH2) | 35.2 |
| 12 (CH) | 70.1 |
| 13 (C) | 80.9 |
| 14 (CH) | 71.1 |
| 15 (CH) | 113.3 |
| 16 (CH) | 110.2 |
| 17 (C) | 174.3 |
| 18 (C) | 168.6 |
| 19 (CH3) | 28.1 |
| 20 (CH3) | 21.3 |
| 1' (CH) | 105.3 |
| 2' (CH) | 17.8 |
| 3' (CH) | 79.1 |
| 4' (CH) | 75.3 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 62.2 |
| 15a (CH3) | 54.9 |
| 16a (CH3) | 55.9 |
| 18a (CH3) | 51.5 |
