Spektraris NMR
Juncenolide D
Common Name: Juncenolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O15/c1-14-28(37)46-22-11-20(12-39-8)9-10-21(41-15(2)32)29(7)24(27(31(14,22)38)45-19(6)36)30(13-40-30)26(44-18(5)35)23(42-16(3)33)25(29)43-17(4)34/h9-11,14,21-27,38H,12-13H2,1-8H3/b10-9-,20-11+/t14-,21-,22-,23+,24+,25-,26+,27-,29+,30-,31-/m0/s1
InChIKey: InChIKey=JVIRBPVSPYFSOL-QPIYFKDLSA-N
Formula: C31H40O15
Molecular Weight: 652.641517
Exact Mass: 652.236721
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) | 47.3 |
| 2 (CH) | 74 |
| 3 (CH) | 131.2 |
| 4 (CH) | 128.6 |
| 5 (C) | 141.5 |
| 6 (CH) | 122.7 |
| 7 (CH) | 78.9 |
| 8 (C) | 81 |
| 9 (CH) | 63.7 |
| 10 (CH) | 32.6 |
| 11 (C) | 58.2 |
| 12 (CH) | 73.2 |
| 13 (CH) | 66.5 |
| 14 (CH) | 73.8 |
| 15 (CH3) | 14.4 |
| 16 (CH2) | 72.2 |
| 17 (CH) | 44.1 |
| 18 (CH3) | 6.3 |
| 19 (C) | 175.3 |
| 20 (CH2) | 49 |
| 2a (C) | 170.1 |
| 2b (CH3) | 21.1 |
| 9a (C) | 169.7 |
| 9b (CH3) | 20.9 |
| 12a (C) | 170.2 |
| 12b (CH3) | 21.3 |
| 13a (C) | 169.6 |
| 13b (CH3) | 20.5 |
| 14a (C) | 170.2 |
| 14b (CH3) | 20.8 |
| 16a (CH3) | 58.4 |
