Spektraris NMR
Briaexcavatin F
Common Name: Briaexcavatin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H48O13/c1-10-12-14-28(40)45-23-17-25(42-20(5)36)33(8)29(19(23)4)31(44-22(7)38)35-26(47-32(41)34(35,9)48-35)16-18(3)15-24(30(33)43-21(6)37)46-27(39)13-11-2/h10,16,19,23-26,29-31H,1,11-15,17H2,2-9H3/b18-16-/t19-,23-,24-,25-,26-,29+,30-,31-,33-,34+,35-/m0/s1
InChIKey: InChIKey=CSDJFJWUPXVMSU-KTOQTREZSA-N
Formula: C35H48O13
Molecular Weight: 676.749177
Exact Mass: 676.309492
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) | 43.6 |
| 2 (CH) | 81.3 |
| 3 (CH) | 72.9 |
| 4 (CH2) | 33.9 |
| 5 (C) | 139.1 |
| 6 (CH) | 121.6 |
| 7 (CH) | 73.7 |
| 8 (C) | 68.7 |
| 9 (CH) | 65.9 |
| 10 (CH) | 39.7 |
| 11 (CH) | 32.1 |
| 12 (CH) | 69.2 |
| 13 (CH2) | 26.9 |
| 14 (CH) | 80.4 |
| 15 (CH3) | 17.9 |
| 16 (CH3) | 22.3 |
| 17 (C) | 60 |
| 18 (CH3) | 10 |
| 19 (C) | 171.6 |
| 20 (CH3) | 10.2 |
| 2a (C) | 171.3 |
| 2b (CH3) | 22.2 |
| 3a (C) | 171.7 |
| 3b (CH2) | 35.8 |
| 3c (CH2) | 18.1 |
| 3d (CH3) | 13.6 |
| 9a (C) | 169.4 |
| 9b (CH3) | 21.6 |
| 12a (C) | 172.3 |
| 12b (CH2) | 33.3 |
| 12c (CH2) | 28.5 |
| 12d (CH) | 136.4 |
| 12e (CH2) | 115.6 |
| 14a (C) | 170.9 |
| 14b (CH3) | 22.1 |
