Spektraris NMR
Juncin T
Common Name: Juncin T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H48O17/c1-17(2)9-12-26(42)46-15-27(43)52-24-11-10-23(14-37)13-25-36(45,18(3)33(44)53-25)32(51-22(7)41)29-34(24,8)30(49-20(5)39)28(48-19(4)38)31(50-21(6)40)35(29)16-47-35/h10-11,13,17-18,24-25,28-32,37,45H,9,12,14-16H2,1-8H3/b11-10-,23-13+/t18-,24-,25-,28+,29+,30-,31+,32-,34+,35-,36-/m0/s1
InChIKey: InChIKey=VXGARSKKDAJVLS-CZHZHJAWSA-N
Formula: C36H48O17
Molecular Weight: 752.757532
Exact Mass: 752.28915
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qi, S., Zhang, S., Qian, P., Xiao, Z., Li, M. Tetrahedron (2006) 62, 9123-30
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) | 46.4 |
| 2 (CH) | 75.5 |
| 3 (CH) | 131.4 |
| 4 (CH) | 128.5 |
| 5 (C) | 139.6 |
| 6 (CH) | 122.7 |
| 7 (CH) | 78.8 |
| 8 (C) | 81.2 |
| 9 (CH) | 63.8 |
| 10 (CH) | 32.7 |
| 11 (C) | 58.3 |
| 12 (CH) | 73.3 |
| 13 (CH) | 66.6 |
| 14 (CH) | 73.8 |
| 15 (CH3) | 14.4 |
| 16 (CH2) | 63 |
| 17 (CH) | 44.1 |
| 18 (CH3) | 6.3 |
| 19 (C) | 176.9 |
| 20 (CH2) | 48.7 |
| 2a (C) | 171.1 |
| 2b (CH2) | 60.8 |
| 2c (C) | 172.4 |
| 2d (CH2) | 42.7 |
| 2e (CH2) | 29.7 |
| 2f (CH) | 25.6 |
| 2g (CH3) | 22.3 |
| 2fa (CH3) | 22.3 |
| 9a (C) | 169.7 |
| 9b (CH3) | 20.5 |
| 12a (C) | 170 |
| 12b (CH3) | 20.6 |
| 13a (C) | 170.1 |
| 13b (CH3) | 20.7 |
| 14a (C) | 170.1 |
| 14b (CH3) | 21.5 |
