Spektraris NMR
Colossolactone E
Common Name: Colossolactone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O6/c1-18-8-12-26(37-29(18)35)19(2)25-17-27(36-20(3)33)32(7)24-11-10-23-21(9-13-28(34)38-30(23,4)5)16-22(24)14-15-31(25,32)6/h8-9,13,16,19,23,25-27H,10-12,14-15,17H2,1-7H3/t19-,23+,25+,26?,27+,31+,32+/m0/s1
InChIKey: InChIKey=BKBKEBSSMOWKJE-MEIOAICRSA-N
Formula: C32H42O6
Molecular Weight: 522.67349
Exact Mass: 522.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kleinwachter, P., Anh, N., Kiet, T.T., Schlegel, B., Dahse, H.M., Hartl, A., Grafe, U. J Nat Prod (2001) 64, 236-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 143.63 |
| 2 (CH) | 118.13 |
| 3 (C) | 166.98 |
| 4 (C) | 80.52 |
| 5 (CH) | 49.02 |
| 6 (CH2) | 38.39 |
| 7 (CH2) | 27.22 |
| 8 (C) | 147.03 |
| 9 (C) | 129.87 |
| 10 (CH) | 139.26 |
| 11 (CH2) | 26.79 |
| 12 (CH2) | 31.11 |
| 13 (C) | 44.29 |
| 14 (C) | 54.89 |
| 15 (CH) | 78.01 |
| 16 (CH2) | 38.63 |
| 17 (CH) | 45.3 |
| 18 (CH3) | 16.74 |
| 19 (C) | 142.76 |
| 20 (CH) | 39.94 |
| 21 (CH3) | 13.31 |
| 22 (CH) | 79.77 |
| 23 (CH2) | 27.76 |
| 24 (CH) | 139.35 |
| 25 (C) | 128.36 |
| 26 (C) | 166.26 |
| 27 (CH3) | 17.06 |
| 28 (CH3) | 28.83 |
| 29 (CH3) | 26.35 |
| 30 (CH3) | 26.35 |
| 15a (C) | 170.36 |
| 15b (CH3) | 21.42 |
