Spektraris NMR
Antiquol C
Common Name: Antiquol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,15,21-22,25-26,31H,9,11,13-14,16-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1
InChIKey: InChIKey=ZBFPGLKEWSMWSG-WZLOIPHISA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
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) | 35.7 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 79.1 |
| 4 (C) | 39 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 118.5 |
| 8 (C) | 141.4 |
| 9 (C) | 145 |
| 10 (C) | 36.2 |
| 11 (CH) | 115.4 |
| 12 (CH2) | 38.4 |
| 13 (C) | 44.1 |
| 14 (C) | 49.7 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 50.8 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 20.7 |
| 20 (CH) | 35.8 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 35.3 |
| 23 (CH2) | 25.1 |
| 24 (CH) | 125.1 |
| 25 (C) | 131 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 15.3 |
| 30 (CH3) | 23.2 |
