Spektraris NMR
3β-Hydroxyolean-12-en-28-al
Common Name: 3β-Hydroxyolean-12-en-28-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=STHRNDDZYFUIDO-OSQDELBUSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kamiya, K., Yoshioka, K., Saiki, Y., Ikuta, A., Satake, T. Phytochemistry (1997) 44, 141-4
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) | 39.4 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 78.9 |
| 4 (C) | 39.7 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40.3 |
| 9 (CH) | 49.3 |
| 10 (C) | 37.6 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 122.6 |
| 13 (C) | 142.6 |
| 14 (C) | 42.6 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 22.7 |
| 17 (C) | 49.9 |
| 18 (CH) | 48.3 |
| 19 (CH2) | 46.3 |
| 20 (C) | 31.1 |
| 21 (CH2) | 33.7 |
| 22 (CH2) | 28.4 |
| 23 (CH3) | 29.2 |
| 24 (CH3) | 17 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 17.8 |
| 27 (CH3) | 26.1 |
| 28 (CH) | 209.2 |
| 29 (CH3) | 33.6 |
| 30 (CH3) | 24.1 |
