Spektraris NMR
Coronalolide methyl ester
Common Name: Coronalolide methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O5/c1-19(17-32)8-7-9-20(2)22-10-12-29(5)24-16-23-26(21(3)27(34)36-23)31(13-11-25(33)35-6)18-30(24,31)15-14-28(22,29)4/h8,17,20,22-24,26H,3,7,9-16,18H2,1-2,4-6H3/b19-8+/t20-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
InChIKey: InChIKey=FPFAZZFTBDKRJL-PXERRMOCSA-N
Formula: C31H44O5
Molecular Weight: 496.679231
Exact Mass: 496.318875
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) | 30.8 |
| 2 (CH2) | 31.1 |
| 3 (C) | 173.3 |
| 4 (C) | 139 |
| 5 (CH) | 38.9 |
| 6 (CH) | 74.3 |
| 7 (CH2) | 27.1 |
| 8 (CH) | 38.2 |
| 9 (C) | 25 |
| 10 (C) | 28.1 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 32.9 |
| 13 (C) | 45.7 |
| 14 (C) | 48.6 |
| 15 (CH2) | 34.7 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 51.2 |
| 18 (CH3) | 15.9 |
| 19 (CH2) | 23.1 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 34.7 |
| 23 (CH2) | 25.9 |
| 24 (CH) | 155.2 |
| 25 (C) | 139 |
| 26 (CH) | 195.2 |
| 27 (CH3) | 9.1 |
| 28 (CH2) | 123 |
| 29 (C) | 170.6 |
| 30 (CH3) | 20 |
| 3a (CH3) | 51.7 |
