Spektraris NMR
Briarenolide A
Common Name: Briarenolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O9/c1-12-6-8-17(31-14(3)26)23(5)18(32-15(4)27)9-7-16(11-25)20(23)21(28)24(30)13(2)22(29)33-19(24)10-12/h7,10,13,17-20,25,30H,6,8-9,11H2,1-5H3/b12-10-/t13-,17-,18-,19-,20+,23-,24-/m0/s1
InChIKey: InChIKey=ZYCXQGSACBEPAS-DINQFPBCSA-N
Formula: C24H32O9
Molecular Weight: 464.50641
Exact Mass: 464.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, J., Sung, P., Kuo, Y., Hsu, C., Sheu, J. Tetrahedron (2007) 63, 8282-5
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) | 45.7 |
| 2 (CH) | 73 |
| 3 (CH2) | 34 |
| 4 (CH2) | 28.1 |
| 5 (C) | 143.4 |
| 6 (CH) | 119.2 |
| 7 (CH) | 80.3 |
| 8 (C) | 90.5 |
| 9 (C) | 216.1 |
| 10 (CH) | 44.3 |
| 11 (C) | 133.5 |
| 12 (CH) | 127.2 |
| 13 (CH2) | 27.9 |
| 14 (CH) | 70.2 |
| 15 (CH3) | 12.3 |
| 16 (CH3) | 27.7 |
| 17 (CH) | 45 |
| 18 (CH3) | 7.5 |
| 19 (C) | 176.5 |
| 20 (CH2) | 67.3 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21 |
| 14a (C) | 171.1 |
| 14b (CH3) | 21.4 |
