Spektraris NMR
Wallichianol
Common Name: Wallichianol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O3/c1-20(19-33)22-11-14-29(5)17-18-31(7)23(27(22)29)9-10-25-30(6)15-13-26(35-21(2)34)28(3,4)24(30)12-16-32(25,31)8/h20,22-27,33H,9-19H2,1-8H3/t20-,22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1
InChIKey: InChIKey=SVSCBVAIIFNLSM-UPSMEDNNSA-N
Formula: C32H54O3
Molecular Weight: 486.770564
Exact Mass: 486.407296
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Corbett R.E., Cong A.N.T., Wilkins A.L., Thomson R.A. J Chem Soc, Perkin Trans 1 (1985) 0, 2051
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) | 38.5 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 81.1 |
| 4 (C) | 37.9 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.4 |
| 8 (C) | 41 |
| 9 (CH) | 50.1 |
| 10 (C) | 37.1 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 27 |
| 13 (CH) | 37.9 |
| 14 (C) | 43.1 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 35.5 |
| 17 (C) | 42.9 |
| 18 (CH) | 47.3 |
| 19 (CH) | 39.3 |
| 20 (CH) | 38 |
| 21 (CH2) | 22 |
| 22 (CH2) | 40.6 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 18.1 |
| 29 (CH2) | 68.5 |
| 30 (CH3) | 10.3 |
| 3a () | 171 |
| 3b () | 21.3 |
