Spektraris NMR
Oleanolic lactone acetate
Common Name: Oleanolic lactone acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-20(33)35-24-11-12-28(6)21(27(24,4)5)9-13-29(7)22(28)10-14-32-23-19-26(2,3)15-17-31(23,25(34)36-32)18-16-30(29,32)8/h21-24H,9-19H2,1-8H3/t21-,22+,23+,24-,28-,29+,30-,31-,32-/m0/s1
InChIKey: InChIKey=PPVVIIIMYQXETH-GABPFWJWSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Al-Hazimi H.M.G., Miana G., Deep M.S.H. Phytochemistry (1987) 26, 1091
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 37.8 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 80.7 |
| 4 (C) | 37.4 |
| 5 (CH) | 55 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 33.3 |
| 8 (C) | 38.6 |
| 9 (CH) | 50.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.8 |
| 12 (CH2) | 19.6 |
| 13 (C) | 91.7 |
| 14 (C) | 42.2 |
| 15 (CH2) | 26.5 |
| 16 (CH2) | 21.8 |
| 17 (C) | 50.3 |
| 18 (CH) | 44 |
| 19 (CH2) | 38.6 |
| 20 (C) | 31.3 |
| 21 (CH2) | 34.2 |
| 22 (CH2) | 31.5 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 18.3 |
| 28 (C) | 180.2 |
| 29 (CH3) | 33.4 |
| 30 (CH3) | 23.6 |
| 3a (C) | 170.9 |
| 3b (CH3) | 20.8 |
