Spektraris NMR
Coronalolic acid
Common Name: Coronalolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-20(17-31)7-6-8-21(2)23-11-13-28(5)25-10-9-24(22(3)18-32)29(14-12-26(33)34)19-30(25,29)16-15-27(23,28)4/h7,17,21,23-25,32H,3,6,8-16,18-19H2,1-2,4-5H3,(H,33,34)/b20-7+/t21-,23-,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=IOFXIXOKOAYADV-ICQJXUMVSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Silva, G.L., Gil, R.R., Cui, B.L., Chai, H., Santisuk, T., Srisook, E., Reutrakul, V., Tuchinda, P., Sophasan, S., Sujarit, S., Upatham, S., Lynn, S.M., Farthing, J.E., Yang, S.L., Lewis, J.A., Oneill, M.J., Farnsworth, N.R., Cordell, G.A., Pezzuto, J.M., Kinghorn, A.D. Tetrahedron (1997) 53, 529-38
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 28.1 |
| 2 (CH2) | 30.3 |
| 3 (C) | 179.3 |
| 4 (C) | 152.1 |
| 5 (CH) | 41.9 |
| 6 (CH2) | 28.7 |
| 7 (CH2) | 25.2 |
| 8 (CH) | 47.9 |
| 9 (C) | 21.8 |
| 10 (C) | 27.4 |
| 11 (CH2) | 26.9 |
| 12 (CH2) | 33 |
| 13 (C) | 45.1 |
| 14 (C) | 48.9 |
| 15 (CH2) | 35.6 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 30.3 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 34.7 |
| 23 (CH2) | 26.1 |
| 24 (CH) | 155.7 |
| 25 (C) | 139.2 |
| 26 (CH) | 196 |
| 27 (CH3) | 9.2 |
| 28 (CH2) | 64.7 |
| 29 (CH2) | 110.6 |
| 30 (CH3) | 19.4 |
