Spektraris NMR
Anemosapogenin diacetate
Common Name: Anemosapogenin diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O6/c1-20(2)23-11-16-34(29(37)38)18-17-32(7)24(28(23)34)9-10-26-30(5)14-13-27(40-22(4)36)31(6,19-39-21(3)35)25(30)12-15-33(26,32)8/h23-28H,1,9-19H2,2-8H3,(H,37,38)/t23-,24+,25+,26+,27-,28+,30-,31-,32+,33+,34-/m0/s1
InChIKey: InChIKey=HZYRUQFFEXNJIW-DAKVPFIOSA-N
Formula: C34H52O6
Molecular Weight: 556.774369
Exact Mass: 556.376389
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wen-Kan C., Yu W.B., De-Yu L., Qiang L., Li-Ying L. Acta Chimi Sinica (1983) 41, 739
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) | 38.1 |
| 2 (CH2) | 23.2 |
| 3 (CH) | 74.6 |
| 4 (C) | 40.8 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 18 |
| 7 (CH2) | 34 |
| 8 (C) | 40.7 |
| 9 (CH) | 50.6 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21 |
| 12 (CH2) | 25.6 |
| 13 (CH) | 38.5 |
| 14 (C) | 42.5 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 32.3 |
| 17 (C) | 56.5 |
| 18 (CH) | 47.1 |
| 19 (CH) | 49.3 |
| 20 (C) | 150.5 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 37.1 |
| 23 (CH2) | 65.5 |
| 24 (CH3) | 13 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.7 |
| 28 (C) | 182.3 |
| 29 (CH2) | 109.7 |
| 30 (CH3) | 19.5 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21 |
| 23a (C) | 170.9 |
| 23b (CH3) | 21.4 |
