Spektraris NMR
Briaexcavatin D
Common Name: Briaexcavatin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O13/c1-10-11-12-26(38)44-22-15-24(41-19(5)35)31(8)27(17(22)3)29(43-21(7)37)33-25(45-30(39)32(33,9)46-33)14-16(2)13-23(40-18(4)34)28(31)42-20(6)36/h10,14,17,22-25,27-29H,1,11-13,15H2,2-9H3/b16-14-/t17-,22-,23-,24-,25-,27+,28-,29-,31-,32+,33-/m0/s1
InChIKey: InChIKey=VPPDBUBHQLJNRY-FBMNLDBWSA-N
Formula: C33H44O13
Molecular Weight: 648.695942
Exact Mass: 648.278191
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) | 43.7 |
| 2 (CH) | 81 |
| 3 (CH) | 73.2 |
| 4 (CH2) | 33.6 |
| 5 (C) | 138.9 |
| 6 (CH) | 121.6 |
| 7 (CH) | 73.7 |
| 8 (C) | 68.6 |
| 9 (CH) | 65.8 |
| 10 (CH) | 39.7 |
| 11 (CH) | 32.2 |
| 12 (CH) | 69.2 |
| 13 (CH2) | 26.9 |
| 14 (CH) | 80.6 |
| 15 (CH3) | 18 |
| 16 (CH3) | 22.2 |
| 17 (C) | 60 |
| 18 (CH3) | 10 |
| 19 (C) | 171.7 |
| 20 (CH3) | 10.2 |
| 2a (C) | 171 |
| 2b (CH3) | 22.2 |
| 3a (C) | 170.3 |
| 3b (CH3) | 22.2 |
| 9a (C) | 169.5 |
| 9b (CH3) | 21.6 |
| 12a (C) | 172.3 |
| 12b (CH2) | 33.2 |
| 12c (CH2) | 28.5 |
| 12d (CH) | 136.4 |
| 12e (CH2) | 115.6 |
| 14a (C) | 169.4 |
| 14b (CH3) | 21 |
