Spektraris NMR
4-acetoxyBriviolide D
Common Name: 4-acetoxyBriviolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O12/c1-12-11-18-20(13(2)26(34)40-18)22(37-15(4)30)24-27(7,10-9-19(33)28(24,8)35)25(39-17(6)32)23(38-16(5)31)21(12)36-14(3)29/h9-11,18-19,21-25,33,35H,1-8H3/b12-11-/t18-,19+,21-,22+,23+,24+,25-,27-,28+/m0/s1
InChIKey: InChIKey=BMENKPQDOTWHEY-SHZIQTCFSA-N
Formula: C28H36O12
Molecular Weight: 564.579331
Exact Mass: 564.220677
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) | 46.1 |
| 2 (CH) | 77.2 |
| 3 (CH) | 70.8 |
| 4 (CH) | 77.1 |
| 5 (C) | 138.4 |
| 6 (CH) | 130.1 |
| 7 (CH) | 76.9 |
| 8 (C) | 157.4 |
| 9 (CH) | 66.4 |
| 10 (CH) | 40.8 |
| 11 (C) | 75.1 |
| 12 (CH) | 70.1 |
| 13 (CH) | 124.8 |
| 14 (CH) | 140.8 |
| 15 (CH3) | 16.5 |
| 16 (CH3) | 25.5 |
| 17 (C) | 127.5 |
| 18 (CH3) | 9.6 |
| 19 (C) | 174 |
| 20 (CH3) | 21.5 |
| 2a (C) | 168.6 |
| 2b (CH3) | 20.4 |
| 3a (C) | 169.9 |
| 3b (CH3) | 20.8 |
| 4a (C) | 170.1 |
| 4b (CH3) | 20.8 |
| 9a (C) | 170.2 |
| 9b (CH3) | 20.9 |
