Spektraris NMR
3_-phenylacetoxyolean-12-en
Common Name: 3_-phenylacetoxyolean-12-en
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H56O2/c1-33(2)20-21-35(5)22-23-37(7)27(28(35)25-33)14-15-30-36(6)18-17-31(34(3,4)29(36)16-19-38(30,37)8)40-32(39)24-26-12-10-9-11-13-26/h9-14,28-31H,15-25H2,1-8H3/t28-,29-,30+,31-,35+,36-,37+,38+/m0/s1
InChIKey: InChIKey=YGGMSCSDIISOHL-XJEZUUIPSA-N
Formula: C38H56O2
Molecular Weight: 544.851456
Exact Mass: 544.428031
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lima, M.D., Braga, P.A.D., Macedo, M.L., da Silva, M., Ferreira, A.G., Fernandes, J.B., Vieira, P.C. J Braz Chem Soc (2004) 15, 385-94
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) | 38.4 |
| 2 (CH2) | 27 |
| 3 (CH) | 81.4 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32.5 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 121.7 |
| 13 (C) | 145 |
| 14 (C) | 41.8 |
| 15 (CH2) | 26.2 |
| 16 (CH2) | 25.9 |
| 17 (C) | 32.8 |
| 18 (CH) | 47.3 |
| 19 (CH2) | 46.8 |
| 20 (C) | 31.1 |
| 21 (CH2) | 34.8 |
| 22 (CH2) | 37.3 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 25.9 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 33.8 |
| 30 (CH3) | 23.7 |
| 3a (C) | 171.3 |
| 3b (CH2) | 42.1 |
| 3c (C) | 134.5 |
| 3d (CH) | 129.3 |
| 3e (CH) | 128.5 |
| 3f (CH) | 126.9 |
| 3g (CH) | 128.5 |
| 3h (CH) | 129.3 |
