Spektraris NMR
2α-3β-Dihydroxyolean-12-ene-24,28-dioic acid
Common Name: 2α-3β-Dihydroxyolean-12-ene-24,28-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-25(2)11-13-30(24(35)36)14-12-27(4)17(18(30)15-25)7-8-20-26(3)16-19(31)22(32)29(6,23(33)34)21(26)9-10-28(20,27)5/h7,18-22,31-32H,8-16H2,1-6H3,(H,33,34)(H,35,36)/t18-,19+,20+,21+,22-,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=IDGXIXSKISLYAC-SBFMDMFKSA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, M.H., Han, Y.N. Planta Med (2003) 69, 327-31
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) | 46 |
| 2 (CH) | 67.7 |
| 3 (CH) | 82.7 |
| 4 (C) | 49.1 |
| 5 (CH) | 56 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 32.5 |
| 8 (C) | 38.8 |
| 9 (CH) | 46.2 |
| 10 (C) | 38.1 |
| 11 (CH2) | 22.6 |
| 12 (CH) | 121.8 |
| 13 (C) | 143.5 |
| 14 (C) | 41.5 |
| 15 (CH2) | 127.2 |
| 16 (CH2) | 23 |
| 17 (C) | 46.6 |
| 18 (CH) | 41 |
| 19 (CH2) | 45.5 |
| 20 (C) | 30.2 |
| 21 (CH2) | 33.5 |
| 22 (CH2) | 32.2 |
| 23 (CH3) | 25.2 |
| 24 (C) | 180.4 |
| 25 (CH3) | 14.2 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 23.7 |
| 28 (C) | 179.6 |
| 29 (CH3) | 32.5 |
| 30 (CH3) | 23.2 |
