Spektraris NMR
Loranthol diacetate
Common Name: Loranthol diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O4/c1-20(2)23-13-15-31(7)17-18-33(9)24(29(23)31)11-12-25-32(8)16-14-27(37-21(3)35)30(5,6)26(32)19-28(34(25,33)10)38-22(4)36/h23-29H,1,11-19H2,2-10H3/t23-,24+,25+,26-,27-,28-,29+,31+,32+,33+,34-/m0/s1
InChIKey: InChIKey=HDFWRZXCQFHHHA-NYFFBKQVSA-N
Formula: C34H54O4
Molecular Weight: 526.791441
Exact Mass: 526.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anaya J., Caballero M.C., Grande M., Navarro J.J., Tapia I., Almeida J.F. Phytochemistry (1989) 28, 2206
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH2) | 38.3 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 80.6 |
| 4 (C) | 38.1 |
| 5 (CH) | 52.2 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 77.1 |
| 8 (C) | 45.6 |
| 9 (CH) | 49.8 |
| 10 (C) | 36.6 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 37.2 |
| 14 (C) | 44.2 |
| 15 (CH2) | 29.9 |
| 16 (CH2) | 37.1 |
| 17 (C) | 42.7 |
| 18 (CH) | 50.3 |
| 19 (CH) | 48.3 |
| 20 (C) | 150.8 |
| 21 (CH2) | 30 |
| 22 (CH2) | 40.1 |
| 23 (CH3) | 25.2 |
| 24 (CH3) | 15.8 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 11.5 |
| 27 (CH3) | 14.9 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.4 |
| 30 (CH3) | 19.4 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.2 |
| 7a (C) | 170.7 |
| 7b (CH3) | 20.7 |
