Spektraris NMR
Cycloalpigenin A
Common Name: Cycloalpigenin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-24(2)18-8-9-19-26(5)14-17(31)23(27(6)12-11-22(35-27)25(3,4)34)28(26,7)21(33)15-30(19)16-29(18,30)13-10-20(24)32/h17-20,22-23,31-32,34H,8-16H2,1-7H3/t17-,18-,19-,20-,22-,23+,26-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=MXZGMXMCQLDJMK-MVZKCDLWSA-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) | 32.84 |
| 2 (CH2) | 31 |
| 3 (CH) | 77.59 |
| 4 (C) | 40.95 |
| 5 (CH) | 47.05 |
| 6 (CH2) | 20.71 |
| 7 (CH2) | 26.54 |
| 8 (CH) | 47.62 |
| 9 (C) | 19.99 |
| 10 (C) | 28.14 |
| 11 (CH2) | 45.91 |
| 12 (C) | 211.25 |
| 13 (C) | 60.95 |
| 14 (C) | 47.54 |
| 15 (CH2) | 46.02 |
| 16 (CH) | 73.01 |
| 17 (CH) | 49.85 |
| 18 (CH3) | 14.98 |
| 19 (CH2) | 31 |
| 20 (C) | 87.22 |
| 21 (CH3) | 28.74 |
| 22 (CH2) | 36.02 |
| 23 (CH2) | 25.92 |
| 24 (CH) | 82.32 |
| 25 (C) | 70.67 |
| 26 (CH3) | 27.26 |
| 27 (CH3) | 28.22 |
| 28 (CH3) | 26.12 |
| 29 (CH3) | 20.78 |
| 30 (CH3) | 14.79 |
