Spektraris NMR
Odolactone
Common Name: Odolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18-19(31)8-9-20-27(18,5)11-10-21-28(20,6)14-15-30-22-16-25(2,3)12-13-26(22,4)17-23(29(21,30)7)33-24(30)32/h18,20-23H,8-17H2,1-7H3/t18-,20+,21-,22+,23-,26+,27+,28-,29-,30-/m0/s1
InChIKey: InChIKey=QVPNGNPONGJCDO-OCBUOAJQSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gibbons, S., Gray, A.I., Hockless, D.C.R., Lavaud, C., Nuzillard, J.M., Massiot, G., Waterman, P.G., White, A.H. Phytochemistry (1993) 34, 273-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 21.7 |
| 2 (CH2) | 41.5 |
| 3 (C) | 213.1 |
| 4 (CH) | 58 |
| 5 (C) | 42.3 |
| 6 (CH2) | 40.7 |
| 7 (CH2) | 19.1 |
| 8 (CH) | 57.7 |
| 9 (C) | 37.8 |
| 10 (CH) | 58.6 |
| 11 (CH2) | 36.3 |
| 12 (CH2) | 22.4 |
| 13 (C) | 51.6 |
| 14 (C) | 38.2 |
| 15 (CH) | 83.7 |
| 16 (CH2) | 36.2 |
| 17 (C) | 30.2 |
| 18 (CH) | 39.3 |
| 19 (CH2) | 36.7 |
| 20 (C) | 28.2 |
| 21 (CH2) | 31.7 |
| 22 (CH2) | 38.2 |
| 23 (CH3) | 7.01 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 20.7 |
| 26 (CH3) | 18 |
| 27 (C) | 177.2 |
| 28 (CH3) | 23.5 |
| 29 (CH3) | 30.7 |
| 30 (CH3) | 34.8 |
