Spektraris NMR
Juncenolide C
Common Name: Juncenolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O15/c1-13-27(37)45-21-10-19(11-31)8-9-20(40-14(2)32)28(7)23(26(30(13,21)38)44-18(6)36)29(12-39-29)25(43-17(5)35)22(41-15(3)33)24(28)42-16(4)34/h8-10,13,20-26,31,38H,11-12H2,1-7H3/b9-8-,19-10+/t13-,20-,21-,22+,23+,24-,25+,26-,28+,29-,30-/m0/s1
InChIKey: InChIKey=YRIFCYVSONYKSX-AJUMRYNNSA-N
Formula: C30H38O15
Molecular Weight: 638.614899
Exact Mass: 638.221071
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lin, Y.C., Ko, C.L., Wang, L.T. J Nat Prod (2003) 66, 302-5
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) | 75.6 |
| 3 (CH) | 131.1 |
| 4 (CH) | 129.6 |
| 5 (C) | 144.5 |
| 6 (CH) | 123.8 |
| 7 (CH) | 78.7 |
| 8 (C) | 81.1 |
| 9 (CH) | 64.7 |
| 10 (CH) | 32.6 |
| 11 (C) | 58.3 |
| 12 (CH) | 73.2 |
| 13 (CH) | 66.5 |
| 14 (CH) | 73.8 |
| 15 (CH3) | 14.4 |
| 16 (CH2) | 63.9 |
| 17 (CH) | 44.1 |
| 18 (CH3) | 6.3 |
| 19 (C) | 175.2 |
| 20 (CH2) | 49 |
| 2a (C) | 169.7 |
| 2b (CH3) | 20.5 |
| 9a (C) | 169.7 |
| 9b (CH3) | 20.9 |
| 12a (C) | 170.1 |
| 12b (CH3) | 21.4 |
| 13a (C) | 170.9 |
| 13b (CH3) | 21.5 |
| 14a (C) | 170.1 |
| 14b (CH3) | 20.7 |
