Spektraris NMR
Juncin J
Common Name: Juncin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H52O16/c1-18(2)13-28(43)53-30-32(50-23(8)41)36(10)26(49-22(7)40)12-11-25(16-47-21(6)39)15-27-38(46,20(5)35(45)52-27)34(51-24(9)42)31(36)37(17-48-37)33(30)54-29(44)14-19(3)4/h11-12,15,18-20,26-27,30-34,46H,13-14,16-17H2,1-10H3/b12-11-,25-15+/t20-,26+,27-,30+,31+,32-,33+,34+,36+,37-,38-/m0/s1
InChIKey: InChIKey=DAZQVNSICLLOSD-ZZANMSBASA-N
Formula: C38H52O16
Molecular Weight: 764.811362
Exact Mass: 764.325536
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) | 74.1 |
| 3 (CH) | 132 |
| 4 (CH) | 127.6 |
| 5 (C) | 139.6 |
| 6 (CH) | 122.4 |
| 7 (CH) | 78.6 |
| 8 (C) | 80.9 |
| 9 (CH) | 63.7 |
| 10 (CH) | 32.7 |
| 11 (C) | 58.4 |
| 12 (CH) | 72.7 |
| 13 (CH) | 66.2 |
| 14 (CH) | 73.6 |
| 15 (CH3) | 14.4 |
| 16 (CH2) | 63 |
| 17 (CH) | 44 |
| 18 (CH3) | 175.2 |
| 19 (C) | 6.2 |
| 20 (CH2) | 48.9 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21.5 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.3 |
| 12a (C) | 171.7 |
| 12b (CH2) | 43.4 |
| 12c (CH) | 25.6 |
| 12d (CH3) | 22.4 |
| 12ca (CH3) | 22.3 |
| 13a (C) | 171.7 |
| 13b (CH2) | 42.5 |
| 13c (CH) | 24.9 |
| 13d (CH3) | 22.4 |
| 13ca (CH3) | 22.3 |
| 14a (C) | 169.9 |
| 14b (CH3) | 20.8 |
| 16a (C) | 169.5 |
| 16b (CH3) | 20.8 |
