Spektraris NMR
Cycloalpigenin B
Common Name: Cycloalpigenin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/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/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22-,23+,26-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=OWCRBJYXQUTCOJ-YQYPVCMCSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
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) | 32.6 |
| 2 (CH2) | 31.28 |
| 3 (CH) | 77.93 |
| 4 (C) | 41.1 |
| 5 (CH) | 47.74 |
| 6 (CH2) | 21.58 |
| 7 (CH2) | 25.98 |
| 8 (CH) | 48.96 |
| 9 (C) | 19.93 |
| 10 (C) | 26.95 |
| 11 (CH2) | 38.8 |
| 12 (CH) | 72.76 |
| 13 (C) | 49.9 |
| 14 (C) | 50.84 |
| 15 (CH2) | 46.49 |
| 16 (CH) | 72.83 |
| 17 (CH) | 52.29 |
| 18 (CH3) | 21.95 |
| 19 (CH2) | 30.35 |
| 20 (C) | 87.51 |
| 21 (CH3) | 26.18 |
| 22 (CH2) | 38.4 |
| 23 (CH2) | 26.92 |
| 24 (CH) | 83.54 |
| 25 (C) | 70.76 |
| 26 (CH3) | 26.59 |
| 27 (CH3) | 27.45 |
| 28 (CH3) | 27.4 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 14.89 |
