Spektraris NMR
Antiquol C acetate
Common Name: Antiquol C acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,13,16,22,24,27-28H,10,12,14-15,17-20H2,1-9H3/t22-,24+,27+,28+,30-,31+,32-/m1/s1
InChIKey: InChIKey=SJXLZCIHOACHCY-KMDRULEYSA-N
Formula: C32H50O2
Molecular Weight: 466.739396
Exact Mass: 466.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Kithsiri Wijeratne, E.M., Tokuda, H., Enjo, F., Toriumi, M., Kimura, Y., Koike, K., Nikaido, T., Tezuka, Y., Nishino, H. J Nat Prod (2002) 65, 158-62
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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) | 35.3 |
| 2 (CH2) | 24.2 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.9 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 118.1 |
| 8 (C) | 141.5 |
| 9 (C) | 144.7 |
| 10 (C) | 36 |
| 11 (CH) | 115.6 |
| 12 (CH2) | 38.4 |
| 13 (C) | 44.1 |
| 14 (C) | 49.7 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 50.8 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 20.8 |
| 20 (CH) | 35.7 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 35.3 |
| 23 (CH2) | 25 |
| 24 (CH) | 125.1 |
| 25 (C) | 131 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 23.2 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
