Spektraris NMR
12-O-acetylBriviolide D
Common Name: 12-O-acetylBriviolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O11/c1-13-11-19-22(14(2)26(33)39-19)23(37-17(5)31)24-27(7,10-9-21(28(24,8)34)36-16(4)30)25(38-18(6)32)20(12-13)35-15(3)29/h9-11,19-21,23-25,34H,12H2,1-8H3/b13-11-/t19-,20+,21+,23+,24+,25-,27-,28+/m0/s1
InChIKey: InChIKey=DGGGUIQIZNVGPH-RUQVYKTNSA-N
Formula: C28H36O11
Molecular Weight: 548.579926
Exact Mass: 548.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Babazono, K., Okamura, H., Nakatani, M., Doe, M., Morimoto, Y., Shiro, M., Takemura, K. Heterocycles (2005) 65, 2083-93
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) | 45.9 |
| 2 (CH) | 77.7 |
| 3 (CH) | 70.8 |
| 4 (CH2) | 35.3 |
| 5 (C) | 138.3 |
| 6 (CH) | 126 |
| 7 (CH) | 78.5 |
| 8 (C) | 157 |
| 9 (CH) | 66.4 |
| 10 (CH) | 42.2 |
| 11 (C) | 74 |
| 12 (CH) | 73.1 |
| 13 (CH) | 121.5 |
| 14 (CH) | 142 |
| 15 (CH3) | 16.5 |
| 16 (CH3) | 27.2 |
| 17 (C) | 128.2 |
| 18 (CH3) | 9.7 |
| 19 (C) | 173.9 |
| 20 (CH3) | 21.4 |
| 2a (C) | 169.2 |
| 2b (CH3) | 20.6 |
| 3a (C) | 169.8 |
| 3b (CH3) | 21.1 |
| 9a (C) | 170.32 |
| 9b (CH3) | 21.1 |
| 12a (C) | 170.5 |
| 12b (CH3) | 21.3 |
