Spektraris NMR
p-Formylphenyl 3b -hydroxyolean-12-en-28-oate
Common Name: p-Formylphenyl 3b -hydroxyolean-12-en-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H52O4/c1-32(2)18-20-37(31(40)41-25-10-8-24(23-38)9-11-25)21-19-35(6)26(27(37)22-32)12-13-29-34(5)16-15-30(39)33(3,4)28(34)14-17-36(29,35)7/h8-12,23,27-30,39H,13-22H2,1-7H3/t27-,28-,29+,30-,34-,35+,36+,37-/m0/s1
InChIKey: InChIKey=CQHCJXYZMUYPIT-GBVPUKILSA-N
Formula: C37H52O4
Molecular Weight: 560.807767
Exact Mass: 560.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Aslam, H., Ali, S.T., Begum, S., Khatoon, N. Chem Pharm Bull (2007) 55, 516-9
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) | 38.3 |
| 2 (CH2) | 28 |
| 3 (CH) | 79.2 |
| 4 (C) | 38.5 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32.9 |
| 8 (C) | 39.1 |
| 9 (CH) | 47.5 |
| 10 (C) | 36.9 |
| 11 (CH2) | 22.8 |
| 12 (CH) | 125.8 |
| 13 (C) | 143.5 |
| 14 (C) | 41.5 |
| 15 (CH2) | 27.1 |
| 16 (CH2) | 23.2 |
| 17 (C) | 46.3 |
| 18 (CH) | 42 |
| 19 (CH2) | 45.8 |
| 20 (C) | 31 |
| 21 (CH2) | 36.7 |
| 22 (CH2) | 34 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 17 |
| 27 (CH3) | 23.5 |
| 28 (C) | 170.2 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 21.1 |
| 28a (C) | 161.4 |
| 28b (CH) | 115.9 |
| 28c (CH) | 132.2 |
| 28d (C) | 137.9 |
| 28e (CH) | 132.2 |
| 28f (CH) | 115.9 |
| 28da (CH) | 190.8 |
