Spektraris NMR
Zizyberenalic acid
Common Name: Zizyberenalic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O3/c1-18(2)20-10-13-30(25(32)33)15-14-27(5)21(24(20)30)8-9-23-28(27,6)12-11-22-26(3,4)16-19(17-31)29(22,23)7/h16-17,20-24H,1,8-15H2,2-7H3,(H,32,33)/t20-,21+,22-,23-,24+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=GUPQNHIGLNUBOG-XWZLEBTESA-N
Formula: C30H44O3
Molecular Weight: 452.669685
Exact Mass: 452.329045
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Lee, S.S., Shy, S.N., Liu, K.C.S. Phytochemistry (1997) 46, 549-54
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) | 191.7 |
| 2 (C) | 157.9 |
| 3 (CH) | 164.2 |
| 4 (C) | 44 |
| 5 (CH) | 63.7 |
| 6 (CH2) | 17.2 |
| 7 (CH2) | 35.7 |
| 8 (C) | 43.5 |
| 9 (CH) | 48.2 |
| 10 (C) | 52.7 |
| 11 (CH2) | 24.9 |
| 12 (CH2) | 26 |
| 13 (CH) | 38.6 |
| 14 (C) | 43.1 |
| 15 (CH2) | 30.6 |
| 16 (CH2) | 33.2 |
| 17 (C) | 56.7 |
| 18 (CH) | 50 |
| 19 (CH) | 47.9 |
| 20 (C) | 151.3 |
| 21 (CH2) | 31.4 |
| 22 (CH2) | 37.8 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 20.6 |
| 25 (CH3) | 19.5 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 15.1 |
| 28 (C) | 179.1 |
| 29 (CH2) | 110.2 |
| 30 (CH3) | 19.7 |
