Spektraris NMR
Antiquol B acetate
Common Name: Antiquol B acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-17-18-32(9)27-15-13-25-26(30(27,7)19-20-31(24,32)8)14-16-28(29(25,5)6)34-23(4)33/h11,13,22,24,26-28H,10,12,14-20H2,1-9H3/t22-,24+,26-,27-,28+,30+,31+,32-/m1/s1
InChIKey: InChIKey=WIQKDJRPJQQUQD-SQEXXDDBSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
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) | 19.5 |
| 2 (CH2) | 25.5 |
| 3 (CH) | 78.6 |
| 4 (C) | 39.2 |
| 5 (C) | 142.3 |
| 6 (CH) | 119.8 |
| 7 (CH2) | 25.1 |
| 8 (CH) | 44.5 |
| 9 (C) | 35.1 |
| 10 (CH) | 49.6 |
| 11 (CH2) | 35.7 |
| 12 (CH2) | 30.4 |
| 13 (C) | 46.1 |
| 14 (C) | 47.5 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 49.9 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 16.3 |
| 20 (CH) | 35.2 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 35.4 |
| 23 (CH2) | 24.7 |
| 24 (CH) | 125.2 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 25.1 |
| 30 (CH3) | 19.1 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
