Spektraris NMR
Robustolide C
Common Name: Robustolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O11/c1-14-8-10-21(36-17(4)30)27(7)22(37-18(5)31)11-9-20(13-35-16(3)29)12-23-28(34,15(2)26(33)39-23)25(24(14)27)38-19(6)32/h9,11-12,15,21-25,34H,1,8,10,13H2,2-7H3/b11-9-,20-12+/t15-,21-,22-,23-,24+,25-,27+,28-/m0/s1
InChIKey: InChIKey=WQLIJLHOTZWLOJ-IKMUEXBSSA-N
Formula: C28H36O11
Molecular Weight: 548.579926
Exact Mass: 548.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P., Tsai, W., Chiang, M.Y., Su, Y., Kuo, J. Tetrahedron (2007) 63, 7582-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 47.5 |
| 2 (CH) | 74.7 |
| 3 (CH) | 133.2 |
| 4 (CH) | 127.4 |
| 5 (C) | 140 |
| 6 (CH) | 122.8 |
| 7 (CH) | 79 |
| 8 (C) | 83 |
| 9 (CH) | 69 |
| 10 (CH) | 42.5 |
| 11 (C) | 150.6 |
| 12 (CH2) | 27.2 |
| 13 (CH2) | 28.1 |
| 14 (CH) | 74 |
| 15 (CH3) | 15.1 |
| 16 (CH2) | 63.6 |
| 17 (CH) | 43.4 |
| 18 (CH3) | 6.6 |
| 19 (C) | 175.9 |
| 20 (CH2) | 114 |
| 2a (C) | 170.9 |
| 2b (CH3) | 22 |
| 9a (C) | 170.4 |
| 9b (CH3) | 21.4 |
| 14a (C) | 170.1 |
| 14b (CH3) | 21.2 |
| 16a (C) | 169.9 |
| 16b (CH3) | 21.1 |
