Spektraris NMR
Quisvagenin
Common Name: Quisvagenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-24(2)19-8-9-20-27(6)16-18(31)23(28(7)12-11-22(34-28)25(3,4)33)26(27,5)14-15-30(20)17-29(19,30)13-10-21(24)32/h18-23,31-33H,8-17H2,1-7H3/t18-,19-,20-,21-,22-,23-,26+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=LZARHQWKQIGYQA-QNUOXHLHSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
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) | 32.42 |
| 2 (CH2) | 31.33 |
| 3 (CH) | 77.99 |
| 4 (C) | 41.13 |
| 5 (CH) | 47.56 |
| 6 (CH2) | 20.33 |
| 7 (CH2) | 26.6 |
| 8 (CH) | 48.2 |
| 9 (C) | 21.33 |
| 10 (C) | 29.98 |
| 11 (CH2) | 26.47 |
| 12 (CH2) | 33.53 |
| 13 (C) | 45.13 |
| 14 (C) | 47.08 |
| 15 (CH2) | 47.08 |
| 16 (CH) | 73.48 |
| 17 (CH) | 58.55 |
| 18 (CH3) | 21.92 |
| 19 (CH2) | 30.61 |
| 20 (C) | 87.28 |
| 21 (CH3) | 28.57 |
| 22 (CH2) | 35 |
| 23 (CH2) | 26.47 |
| 24 (CH) | 81.79 |
| 25 (C) | 71.24 |
| 26 (CH3) | 27.18 |
| 27 (CH3) | 28.22 |
| 28 (CH3) | 26.2 |
| 29 (CH3) | 20.33 |
| 30 (CH3) | 14.6 |
