Spektraris NMR
RumphiosideC
Common Name: RumphiosideC
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H54O20/c1-17(40)51-16-24-28(52-18(2)41)29(53-19(3)42)30(54-20(4)43)34(56-24)58-26-14-23-33(46)57-27(39(47)31(55-21(5)44)35(49-9)59-36(39)50-10)15-37(23,6)25-13-11-12-22(32(45)48-8)38(25,26)7/h12,23-31,34-36,47H,11,13-16H2,1-10H3/t23-,24+,25+,26+,27-,28+,29-,30+,31?,34-,35?,36?,37+,38+,39?/m0/s1
InChIKey: InChIKey=PXIKPTDJEZTINM-RSZRXYMFSA-N
Formula: C39H54O20
Molecular Weight: 842.835599
Exact Mass: 842.320844
NMR Solvent: CDCl3
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) | 16.1 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 141.7 |
| 4 (C) | 135.4 |
| 5 (C) | 39.5 |
| 6 (CH) | 78 |
| 7 (CH2) | 27.1 |
| 8 (CH) | 45.8 |
| 9 (C) | 35 |
| 10 (CH) | 36.2 |
| 11 (CH2) | 34.7 |
| 12 (CH) | 74.9 |
| 13 (C) | 81.1 |
| 14 (CH) | 75.1 |
| 15 (CH) | 108 |
| 16 (CH) | 108.6 |
| 17 (C) | 172.1 |
| 18 (C) | 167.1 |
| 19 (CH3) | 27.3 |
| 20 (CH3) | 27 |
| 1' (CH) | 101.6 |
| 2' (CH) | 71.5 |
| 3' (CH) | 73.2 |
| 4' (CH) | 68.6 |
| 5' (CH) | 12.3 |
| 6' (CH2) | 61.6 |
| 14a (C) | 170.9 |
| 14b (CH3) | 21 |
| 15a (CH3) | 55.4 |
| 16a (CH3) | 56.1 |
| 18a (CH3) | 51.6 |
| 2'b (C) | 170.4 |
| 2'c (CH3) | 20.6 |
| 3'b (C) | 170.2 |
| 3'c (CH3) | 20.6 |
| 4'b (C) | 169.4 |
| 4'c (CH3) | 20.6 |
| 6'b (C) | 168.5 |
| 6'c (CH3) | 20.6 |
