Spektraris NMR
Michaolides J
Common Name: Michaolides J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O11/c1-14-9-11-21(35-17(4)29)15(2)10-12-23(37-19(6)31)28(8,34)26(38-20(7)32)25-24(16(3)27(33)39-25)22(13-14)36-18(5)30/h9-10,21-26,34H,3,11-13H2,1-2,4-8H3/b14-9+,15-10+/t21-,22+,23+,24+,25-,26-,28-/m0/s1
InChIKey: InChIKey=FFMDUIKBNZDKNL-LXGVGBMYSA-N
Formula: C28H38O11
Molecular Weight: 550.595808
Exact Mass: 550.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, L.T., Wang, S.K., Soong, K., Duh, C.Y. Chem Pharm Bull (2007) 55, 766-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 42.8 |
| 2 (CH) | 79.4 |
| 3 (CH) | 74.5 |
| 4 (C) | 76.1 |
| 5 (CH) | 75.3 |
| 6 (CH2) | 29.1 |
| 7 (CH) | 123.3 |
| 8 (C) | 135 |
| 9 (CH) | 78.5 |
| 10 (CH2) | 30.1 |
| 11 (CH) | 123.3 |
| 12 (C) | 133.1 |
| 13 (CH2) | 41.1 |
| 14 (CH) | 75.6 |
| 15 (C) | 137.3 |
| 16 (CH2) | 122.1 |
| 17 (C) | 169.9 |
| 18 (CH3) | 23.1 |
| 19 (CH3) | 11.3 |
| 20 (CH3) | 15.9 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.4 |
| 5a (C) | 170.2 |
| 5b (CH3) | 21.2 |
| 9a (C) | 170.5 |
| 9b (CH3) | 21.2 |
| 14a (C) | 170.5 |
| 14b (CH3) | 21.2 |
