Spektraris NMR
9-DeacetylbriareolideH
Common Name: 9-DeacetylbriareolideH
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-12-7-9-16(29-14(3)25)22(5)17(30-15(4)26)10-8-13(2)19(22)20(27)24-18(11-12)31-21(28)23(24,6)32-24/h8,11,16-20,27H,7,9-10H2,1-6H3/b12-11-/t16-,17-,18-,19+,20-,22-,23+,24-/m0/s1
InChIKey: InChIKey=YXCIOULYFUHQTK-GCJUEULBSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Sung, P.J., Huang, L.H., Lee, S.F., Wu, T.H., Chang, B.Y., Duh, C.Y., Fang, L.S., Soong, K., Lee, T.J. J Nat Prod (1996) 59, 935-8
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) | 45.06 |
| 2 (CH) | 75.31 |
| 3 (CH2) | 32.17 |
| 4 (CH2) | 28.69 |
| 5 (C) | 146.14 |
| 6 (CH) | 118.43 |
| 7 (CH) | 74.73 |
| 8 (C) | 71.56 |
| 9 (CH) | 70.83 |
| 10 (CH) | 44.22 |
| 11 (C) | 134.64 |
| 12 (CH) | 120.24 |
| 13 (CH2) | 26.48 |
| 14 (CH) | 74.25 |
| 15 (CH3) | 16.53 |
| 16 (CH3) | 26.96 |
| 17 (C) | 62.34 |
| 18 (CH3) | 9.44 |
| 19 (C) | 172.22 |
| 20 (CH3) | 24.56 |
| 2a (C) | 170.65 |
| 2b (CH3) | 21.17 |
| 14a (C) | 171.23 |
| 14b (CH3) | 21.31 |
