Spektraris NMR
Orbigenin
Common Name: Orbigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O7/c1-16(12-19(33)25(36)27(4,5)37)23-20(34)14-29(7)24-17(8-10-28(23,29)6)30(15-31)11-9-22(35)26(2,3)21(30)13-18(24)32/h8,16,18-25,31-37H,9-15H2,1-7H3/t16-,18+,19?,20+,21+,22+,23+,24+,25?,28-,29+,30+/m1/s1
InChIKey: InChIKey=LVIPPMJGCMNCBO-QCLXKXKBSA-N
Formula: C30H52O7
Molecular Weight: 524.730831
Exact Mass: 524.371304
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 : Lanostanes; 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) | 30.99 |
| 2 (CH2) | 28.66 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.71 |
| 5 (CH) | 50.34 |
| 6 (CH2) | 32.22 |
| 7 (CH) | 71.84 |
| 8 (CH) | 50.87 |
| 9 (C) | 142.01 |
| 10 (C) | 45.3 |
| 11 (CH) | 121.57 |
| 12 (CH2) | 37.54 |
| 13 (C) | 45.37 |
| 14 (C) | 45.38 |
| 15 (CH2) | 49.56 |
| 16 (CH) | 72.63 |
| 17 (CH) | 55.5 |
| 18 (CH3) | 15.72 |
| 19 (CH2) | 60.54 |
| 20 (CH) | 27.42 |
| 21 (CH3) | 20.47 |
| 22 (CH2) | 43.03 |
| 23 (CH) | 73.21 |
| 24 (CH) | 79.13 |
| 25 (C) | 74.24 |
| 26 (CH3) | 24.69 |
| 27 (CH3) | 28.9 |
| 28 (CH3) | 29.18 |
| 29 (CH3) | 19.28 |
| 30 (CH3) | 17.7 |
