Spektraris NMR
BriantheinW
Common Name: BriantheinW
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-13-7-9-21(28-16(4)25)24(6)19(14(2)8-10-22(24)29-17(5)26)12-18-15(3)23(27)30-20(18)11-13/h8,11,19-22H,7,9-10,12H2,1-6H3/b13-11-/t19-,20-,21-,22-,24-/m0/s1
InChIKey: InChIKey=ZJOXMWJKQWLNFX-YICAWKJMSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
NMR Solvent: C6D6
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) | 41.56 |
| 2 (CH) | 74.51 |
| 3 (CH2) | 33.79 |
| 4 (CH2) | 29.4 |
| 5 (C) | 143.06 |
| 6 (CH) | 123.74 |
| 7 (CH) | 80.28 |
| 8 (C) | 159.16 |
| 9 (CH2) | 29.31 |
| 10 (CH) | 37.71 |
| 11 (C) | 136.9 |
| 12 (CH) | 116.75 |
| 13 (CH2) | 26.47 |
| 14 (CH) | 72.42 |
| 15 (CH3) | 14.6 |
| 16 (CH3) | 27.48 |
| 17 (C) | 124.9 |
| 18 (CH3) | 9.67 |
| 19 (C) | 173.28 |
| 20 (CH3) | 21.57 |
| 2a (C) | 170.13 |
| 2b (CH3) | 20.75 |
| 14a (C) | 170.31 |
| 14b (CH3) | 20.88 |
