Spektraris NMR
acacic acid lactone
Common Name: acacic acid lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(32)30(18)16-23(25)34-24(30)33/h8,18-23,31-32H,9-16H2,1-7H3/t18-,19-,20+,21-,22-,23-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=GVUMSYCSEREXHD-WPMSXJIASA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mahato S. B., Pal B. C., Price K. R. Phytochemistry (1989) 28, 207
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.9 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 78 |
| 4 (C) | 39.3 |
| 5 (CH) | 56 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 32.6 |
| 8 (C) | 40.4 |
| 9 (CH) | 47.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 124.6 |
| 13 (C) | 140.2 |
| 14 (C) | 43.4 |
| 15 (CH2) | 38 |
| 16 (CH) | 66.6 |
| 17 (C) | 49.9 |
| 18 (CH) | 41.7 |
| 19 (CH2) | 42.8 |
| 20 (C) | 34.1 |
| 21 (CH) | 83.4 |
| 22 (CH2) | 28 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 15.7 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 28.6 |
| 28 (C) | 181 |
| 29 (CH3) | 28.7 |
| 30 (CH3) | 24.3 |
