Spektraris NMR
Lupeolactone
Common Name: Lupeolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-18(2)19-10-13-26(3)16-17-28(5)20(24(19)26)8-9-21-27(4)14-12-23-30(7,25(31)32-23)22(27)11-15-29(21,28)6/h19-24H,1,8-17H2,2-7H3/t19-,20+,21+,22+,23-,24+,26+,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=NSMXRZALRASABN-SZTSEJDOSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lopes, D., Villela, C.T., Kaplan, M.A.C., Carauta, J.P.P. Phytochemistry (1993) 34, 279-80
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 36.8 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 77.3 |
| 4 (C) | 55.4 |
| 5 (CH) | 52.7 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 33.7 |
| 8 (C) | 40.9 |
| 9 (CH) | 47.9 |
| 10 (C) | 35.6 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 37.9 |
| 14 (C) | 43 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 35.6 |
| 17 (C) | 43 |
| 18 (CH) | 48 |
| 19 (CH) | 48.2 |
| 20 (C) | 150.7 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 40 |
| 23 (CH3) | 22.8 |
| 24 (C) | 175.5 |
| 25 (CH3) | 12.7 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.3 |
| 30 (CH3) | 19.2 |
