Spektraris NMR
Cycloalpigenin
Common Name: Cycloalpigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-23(2)19-14-17(31)21-26(6)15-18-22(27(7)11-13-30(34-18,35-27)24(3,4)33)25(26,5)10-12-29(21)16-28(19,29)9-8-20(23)32/h17-22,31-33H,8-16H2,1-7H3/t17-,18+,19-,20-,21-,22-,25+,26-,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=YJTASUSJYVRTLA-KVZUUVPVSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.13 |
| 2 (CH2) | 31.13 |
| 3 (CH) | 77.68 |
| 4 (C) | 40.82 |
| 5 (CH) | 46.31 |
| 6 (CH2) | 32.01 |
| 7 (CH) | 70.07 |
| 8 (CH) | 54.78 |
| 9 (C) | 19.48 |
| 10 (C) | 27.66 |
| 11 (CH2) | 26.91 |
| 12 (CH2) | 33.12 |
| 13 (C) | 45.75 |
| 14 (C) | 45.75 |
| 15 (CH2) | 45.16 |
| 16 (CH) | 74.38 |
| 17 (CH) | 61.33 |
| 18 (CH3) | 22.23 |
| 19 (CH2) | 30.14 |
| 20 (C) | 84.87 |
| 21 (CH3) | 30.56 |
| 22 (CH2) | 31.84 |
| 23 (CH2) | 33.58 |
| 24 (C) | 110.6 |
| 25 (C) | 72.83 |
| 26 (CH3) | 25.59 |
| 27 (CH3) | 25.25 |
| 28 (CH3) | 26.18 |
| 29 (CH3) | 19.64 |
| 30 (CH3) | 14.75 |
