Spektraris NMR
Amphistictinic acid methyl ester
Common Name: Amphistictinic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O5/c1-20(34)38-26-19-22-21(28(2,3)36)13-17-29(22,4)25-12-11-24-30(5)15-10-16-31(6,27(35)37-9)23(30)14-18-32(24,7)33(25,26)8/h21-26,36H,10-19H2,1-9H3/t21-,22-,23+,24+,25+,26-,29-,30-,31-,32+,33-/m0/s1
InChIKey: InChIKey=OSFVGWOHPJERDO-IZASUWNISA-N
Formula: C33H54O5
Molecular Weight: 530.78011
Exact Mass: 530.397125
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A.L., Ronaldson K.J., Jager P.M., Bird P.W. Aust J Chem (1987) 40, 1713
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 40.6 |
| 2 (CH2) | 20.5 |
| 3 (CH2) | 38 |
| 4 (C) | 43.7 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 35.1 |
| 8 (C) | 43.1 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.8 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 23.9 |
| 13 (CH) | 49.1 |
| 14 (C) | 45.9 |
| 15 (CH) | 76.9 |
| 16 (CH2) | 28.6 |
| 17 (CH) | 49.7 |
| 18 (C) | 43.9 |
| 19 (CH2) | 40.8 |
| 20 (CH2) | 26.8 |
| 21 (CH) | 50.2 |
| 22 (C) | 73.5 |
| 23 (CH3) | 28.6 |
| 24 (C) | 178 |
| 25 (CH3) | 13.6 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 12.7 |
| 28 (CH3) | 15.8 |
| 29 (CH3) | 28.6 |
| 30 (CH3) | 31 |
| 15a (C) | 170.5 |
| 15b (CH3) | 21.9 |
| 24a (CH3) | 51 |
