Spektraris NMR
Briaexcavatin C
Common Name: Briaexcavatin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O11/c1-8-9-18(32)36-17-12-26(6)22(38-26)23-28(27(7,39-28)24(33)37-23)21(35-15(4)30)19-13(2)16(31)10-11-25(19,5)20(17)34-14(3)29/h10-11,13,17,19-23H,8-9,12H2,1-7H3/t13-,17-,19+,20-,21-,22-,23-,25-,26+,27+,28+/m0/s1
InChIKey: InChIKey=DQDMSSLBBZHZPH-CRQOEVLOSA-N
Formula: C28H36O11
Molecular Weight: 548.579926
Exact Mass: 548.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P., Chen, Y., Hwang, T., Hu, W., Fang, L., Wu, Y., Li, J., Sheu, J. Tetrahedron (2006) 62, 5686-91
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) | 80.7 |
| 3 (CH) | 70.5 |
| 4 (CH2) | 33.3 |
| 5 (C) | 59.5 |
| 6 (CH) | 62.8 |
| 7 (CH) | 76.5 |
| 8 (C) | 68.8 |
| 9 (CH) | 66.2 |
| 10 (CH) | 41.8 |
| 11 (CH) | 40 |
| 12 (C) | 200.7 |
| 13 (CH) | 126.4 |
| 14 (CH) | 154.5 |
| 15 (CH3) | 17.5 |
| 16 (CH3) | 21.5 |
| 17 (C) | 59.9 |
| 18 (CH3) | 10.4 |
| 19 (C) | 170.3 |
| 20 (CH3) | 14.5 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21.8 |
| 3a (C) | 172.4 |
| 3b (CH2) | 36 |
| 3c (CH2) | 18.1 |
| 3d (CH3) | 13.6 |
| 9a (C) | 169 |
| 9b (CH3) | 21.7 |
