Spektraris NMR
Davallol acetate
Common Name: Davallol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-21(2)23-10-13-27-30(23,6)18-19-31(7)25-11-12-26-28(4,20-34-22(3)33)15-9-16-29(26,5)24(25)14-17-32(27,31)8/h14,21,23,25-27H,9-13,15-20H2,1-8H3/t23-,25+,26+,27-,28-,29-,30-,31-,32+/m1/s1
InChIKey: InChIKey=NJAQCUOFLJDCAT-LZVUPOSESA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shiojima, K., Sasaki, Y., Ageta, H. Chem Pharm Bull (1993) 41, 268-71
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Fernanes; 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) | 41.3 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 36.7 |
| 4 (C) | 37.1 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 17.8 |
| 8 (CH) | 39.6 |
| 9 (C) | 151.1 |
| 10 (C) | 37.9 |
| 11 (CH) | 116.2 |
| 12 (CH2) | 36.1 |
| 13 (C) | 36.7 |
| 14 (C) | 37.6 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 36.1 |
| 17 (C) | 42.9 |
| 18 (CH) | 51.9 |
| 19 (CH2) | 20.1 |
| 20 (CH2) | 28.2 |
| 21 (CH) | 59.6 |
| 22 (CH) | 30.8 |
| 23 (CH3) | 26.6 |
| 24 (CH2) | 66.7 |
| 25 (CH3) | 25.9 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 15.4 |
| 28 (CH3) | 14 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 23 |
| 24a (C) | 171.4 |
| 24b (CH3) | 21 |
