Spektraris NMR
9-deacetoxyBriviolide D
Common Name: 9-deacetoxyBriviolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-12-9-17-16(13(2)22(28)32-17)11-19-23(5,8-7-20(27)24(19,6)29)21(31-15(4)26)18(10-12)30-14(3)25/h7-9,17-21,27,29H,10-11H2,1-6H3/b12-9-/t17-,18+,19+,20+,21-,23-,24-/m0/s1
InChIKey: InChIKey=YWDXFKMLCKVVHC-BHVCZMGFSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
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) | 43.3 |
| 2 (CH) | 78.4 |
| 3 (CH) | 69.4 |
| 4 (CH2) | 35.7 |
| 5 (C) | 136.8 |
| 6 (CH) | 126.3 |
| 7 (CH) | 80.4 |
| 8 (C) | 161 |
| 9 (CH2) | 25.2 |
| 10 (CH) | 38.7 |
| 11 (C) | 74.7 |
| 12 (CH) | 70.5 |
| 13 (CH) | 125.8 |
| 14 (CH) | 138.4 |
| 15 (CH3) | 14.1 |
| 16 (CH3) | 26.8 |
| 17 (C) | 125.3 |
| 18 (CH3) | 9.2 |
| 19 (C) | 174.4 |
| 20 (CH3) | 20.9 |
| 2a (C) | 170.3 |
| 2b (CH3) | 20.6 |
| 3a (C) | 170.6 |
| 3b (CH3) | 20.7 |
