Spektraris NMR
Ursolic acid lactone
Common Name: Ursolic acid lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18-8-14-29-17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,33-24(29)32)23(29)19(18)2/h10,15,18-23,31H,8-9,11-14,16-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=UVBLDLGZDSGCSN-RUOWOPRNSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, H., Fujimoto, Y. Phytochemistry (1993) 33, 151-3
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 38.3 |
| 2 (CH2) | 27 |
| 3 (CH) | 78.8 |
| 4 (C) | 38.9 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 17.7 |
| 7 (CH2) | 31.2 |
| 8 (C) | 41.9 |
| 9 (CH) | 53 |
| 10 (C) | 36.4 |
| 11 (CH) | 128.8 |
| 12 (CH) | 133.4 |
| 13 (C) | 89.7 |
| 14 (C) | 41.7 |
| 15 (CH2) | 25.5 |
| 16 (CH2) | 22.8 |
| 17 (C) | 45.1 |
| 18 (CH) | 60.6 |
| 19 (CH) | 40.3 |
| 20 (CH) | 38.1 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 31.3 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 14.9 |
| 25 (CH3) | 19.1 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 16.1 |
| 28 (C) | 179.9 |
| 29 (CH3) | 17.8 |
| 30 (CH3) | 18 |
