Spektraris NMR
Juncin I
Common Name: Juncin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H46O16/c1-16(2)12-26(41)51-27-29(47-20(6)38)33(9)24(46-19(5)37)11-10-23(14-44-18(4)36)13-25-35(43,17(3)32(42)50-25)31(49-22(8)40)28(33)34(15-45-34)30(27)48-21(7)39/h10-11,13,16-17,24-25,27-31,43H,12,14-15H2,1-9H3/b11-10-,23-13+/t17-,24+,25-,27+,28+,29-,30+,31+,33+,34-,35-/m0/s1
InChIKey: InChIKey=FSBIXPFPBXUGFK-BULJRCNTSA-N
Formula: C35H46O16
Molecular Weight: 722.73151
Exact Mass: 722.278585
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu, A.S., Rao, V.L., Sastry, V.G., Venugopal, M.J., Schmitz, F.J. J Nat Prod (2003) 66, 507-10
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) | 46.3 |
| 2 (CH) | 74 |
| 3 (CH) | 131.9 |
| 4 (CH) | 127.6 |
| 5 (C) | 139.6 |
| 6 (CH) | 122.4 |
| 7 (CH) | 78.6 |
| 8 (C) | 80.9 |
| 9 (CH) | 63.6 |
| 10 (CH) | 32.5 |
| 11 (C) | 58.2 |
| 12 (CH) | 73.1 |
| 13 (CH) | 66.3 |
| 14 (CH) | 73.6 |
| 15 (CH3) | 14.3 |
| 16 (CH2) | 63 |
| 17 (CH) | 43.9 |
| 18 (CH3) | 175.2 |
| 19 (C) | 6.2 |
| 20 (CH2) | 48.7 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21.4 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.2 |
| 12a (C) | 169.9 |
| 12b (CH3) | 21.2 |
| 13a (C) | 171.6 |
| 13b (CH2) | 42.5 |
| 13c (CH) | 24.8 |
| 13d (CH3) | 22.3 |
| 13ca (CH3) | 22.2 |
| 14a (C) | 169.6 |
| 14b (CH3) | 20.7 |
| 16a (C) | 169.5 |
| 16b (CH3) | 20.7 |
