Spektraris NMR
Zizyberanalic acid
Common Name: Zizyberanalic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-27(5)19(23(18)30)8-9-22-28(27,6)12-11-21-26(3,4)24(32)20(16-31)29(21,22)7/h16,18-24,32H,1,8-15H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22-,23+,24+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=SLWJVQQNDGLXTK-IMBMMKFRSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
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) | 80.9 |
| 2 (CH) | 206.2 |
| 3 (CH) | 73.7 |
| 4 (C) | 48.3 |
| 5 (CH) | 63 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 34.7 |
| 8 (C) | 43.1 |
| 9 (CH) | 49.8 |
| 10 (C) | 41.2 |
| 11 (CH2) | 24.9 |
| 12 (CH2) | 25.7 |
| 13 (CH) | 38.5 |
| 14 (C) | 42.4 |
| 15 (CH2) | 32.9 |
| 16 (CH2) | 31.3 |
| 17 (C) | 56.6 |
| 18 (CH) | 50.6 |
| 19 (CH) | 47.8 |
| 20 (C) | 151.2 |
| 21 (CH2) | 30.4 |
| 22 (CH2) | 37.6 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 17.1 |
| 25 (CH3) | 25.7 |
| 26 (CH3) | 15.1 |
| 27 (CH3) | 14.9 |
| 28 (C) | 178.8 |
| 29 (CH2) | 110.1 |
| 30 (CH3) | 19.5 |
