Spektraris NMR
Coronalolide
Common Name: Coronalolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O5/c1-18(16-31)7-6-8-19(2)21-9-11-28(5)23-15-22-25(20(3)26(34)35-22)30(12-10-24(32)33)17-29(23,30)14-13-27(21,28)4/h7,16,19,21-23,25H,3,6,8-15,17H2,1-2,4-5H3,(H,32,33)/b18-7+/t19-,21-,22-,23+,25-,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=YLQIANWVVVMWMO-VDPDGNGOSA-N
Formula: C30H42O5
Molecular Weight: 482.652613
Exact Mass: 482.303224
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) | 30.7 |
| 2 (CH2) | 31.2 |
| 3 (C) | 178.1 |
| 4 (C) | 139.1 |
| 5 (CH) | 39 |
| 6 (CH) | 74.4 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 38.2 |
| 9 (C) | 25.1 |
| 10 (C) | 28.1 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 33 |
| 13 (C) | 45.7 |
| 14 (C) | 48.6 |
| 15 (CH2) | 34.8 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 51.4 |
| 18 (CH3) | 16 |
| 19 (CH2) | 23.2 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 34.8 |
| 23 (CH2) | 26 |
| 24 (CH) | 155.4 |
| 25 (C) | 139.1 |
| 26 (CH) | 195.5 |
| 27 (CH3) | 9.2 |
| 28 (CH2) | 123.1 |
| 29 (C) | 170.7 |
| 30 (CH3) | 20.1 |
