Spektraris NMR
Cycloorbigenin C
Common Name: Cycloorbigenin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O6/c1-16(12-18(32)24(35)26(4,5)36)22-19(33)14-28(7)20-13-17(31)23-25(2,3)21(34)8-9-30(23)15-29(20,30)11-10-27(22,28)6/h16-24,31-36H,8-15H2,1-7H3/t16-,17+,18?,19+,20+,21+,22-,23+,24?,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=TXTHDULUXAJMIG-YTWXNEOSSA-N
Formula: C30H52O6
Molecular Weight: 508.731426
Exact Mass: 508.376389
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Agzamova, M.A., Isaev, M.I. Chem Nat Compd (2003) 39, 470-4
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) | 32.85 |
| 2 (CH2) | 31.49 |
| 3 (CH) | 78.41 |
| 4 (C) | 42.51 |
| 5 (CH) | 54.01 |
| 6 (CH) | 68.29 |
| 7 (CH2) | 38.62 |
| 8 (CH) | 47.19 |
| 9 (C) | 21.3 |
| 10 (C) | 29.64 |
| 11 (CH2) | 26.36 |
| 12 (CH2) | 33.05 |
| 13 (C) | 46.18 |
| 14 (C) | 46.9 |
| 15 (CH2) | 47.78 |
| 16 (CH) | 72.2 |
| 17 (CH) | 57.51 |
| 18 (CH3) | 18.94 |
| 19 (CH2) | 30.11 |
| 20 (CH) | 27.41 |
| 21 (CH3) | 20.36 |
| 22 (CH2) | 42.97 |
| 23 (CH) | 73.17 |
| 24 (CH) | 79.19 |
| 25 (C) | 74.37 |
| 26 (CH3) | 24.7 |
| 27 (CH3) | 28.98 |
| 28 (CH3) | 29.41 |
| 29 (CH3) | 20.25 |
| 30 (CH3) | 16.2 |
