Spektraris NMR
Deoxyhavanensin 3,7-diacetate
Common Name: Deoxyhavanensin 3,7-diacetate
Synonyms: Deoxyhavanensin 3,7-diacetate
CAS Registry Number:
InChI: InChI=1S/C30H42O6/c1-17(31)35-25-15-24(33)29(6)22-10-12-28(5)20(19-11-13-34-16-19)8-9-21(28)30(22,7)26(36-18(2)32)14-23(29)27(25,3)4/h9,11,13,16,20,22-26,33H,8,10,12,14-15H2,1-7H3/t20-,22+,23-,24-,25+,26+,28-,29+,30-/m0/s1
InChIKey: InChIKey=OXOVAPOLRMAKPX-SKYDTIMPSA-N
Formula: C30H42O6
Molecular Weight: 498.652018
Exact Mass: 498.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B. Magn Reson Chem (2003) 41, 206-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) | 71.21 |
| 2 (CH2) | 28.24 |
| 3 (CH) | 78.66 |
| 4 (C) | 36.19 |
| 5 (CH) | 36.38 |
| 6 (CH2) | 22.94 |
| 7 (CH) | 75.03 |
| 8 (C) | 42 |
| 9 (CH) | 35.57 |
| 10 (C) | 41.58 |
| 11 (CH2) | 15.63 |
| 12 (CH2) | 32.85 |
| 13 (C) | 47.31 |
| 14 (C) | 159.85 |
| 15 (CH) | 118.21 |
| 16 (CH2) | 34.24 |
| 17 (CH) | 51.32 |
| 18 (CH3) | 19.84 |
| 19 (CH3) | 16.3 |
| 20 (C) | 124.85 |
| 21 (CH) | 139.55 |
| 22 (CH) | 111.1 |
| 23 (CH) | 142.39 |
| 28 (CH3) | 27.24 |
| 29 (CH3) | 21.36 |
| 30 (CH3) | 27.5 |
| 3a (C) | 169.51 |
| 3b (CH3) | 21.16 |
| 7a (C) | 170.37 |
| 7b (CH3) | 21.24 |
