Spektraris NMR
3-Acetyl-Zizyberanalic acid
Common Name: 3-Acetyl-Zizyberanalic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-18(2)20-11-14-32(27(35)36)16-15-29(6)21(25(20)32)9-10-24-30(29,7)13-12-23-28(4,5)26(37-19(3)34)22(17-33)31(23,24)8/h17,20-26H,1,9-16H2,2-8H3,(H,35,36)/t20-,21+,22+,23-,24-,25+,26+,29+,30+,31-,32-/m0/s1
InChIKey: InChIKey=AYOSRZFAMUIWCV-FAFRZQKISA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kundu A.B., Barik B.R., Mondal D.N., Dey A.K., Benerji A. Phytochemistry (1989) 28, 3155
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH) | 81.9 |
| 2 (CH) | 203.8 |
| 3 (CH) | 77.2 |
| 4 (C) | 48.5 |
| 5 (CH) | 62.5 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 34.1 |
| 8 (C) | 42.9 |
| 9 (CH) | 49.4 |
| 10 (C) | 42 |
| 11 (CH2) | 22.9 |
| 12 (CH2) | 24.6 |
| 13 (CH) | 38.2 |
| 14 (C) | 42.7 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 32.2 |
| 17 (C) | 56.2 |
| 18 (CH) | 50.1 |
| 19 (CH) | 46.9 |
| 20 (C) | 150 |
| 21 (CH2) | 30.5 |
| 22 (CH2) | 37.1 |
| 23 (CH3) | 25.2 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 24.6 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 14.8 |
| 28 (C) | 179 |
| 29 (CH2) | 109.9 |
| 30 (CH3) | 19.3 |
| 3a (C) | 170.7 |
| 3b (CH3) | 20.8 |
