Spektraris NMR
3b 16 b-Diacetoxyolean-12-ene
Common Name: 3b 16 b-Diacetoxyolean-12-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O4/c1-21(35)37-27-14-15-32(8)25(30(27,5)6)13-16-33(9)26(32)12-11-23-24-19-29(3,4)17-18-31(24,7)28(38-22(2)36)20-34(23,33)10/h11,24-28H,12-20H2,1-10H3/t24-,25-,26+,27+,28-,31-,32-,33+,34+/m0/s1
InChIKey: InChIKey=XYMUPRFFHNVZAF-PBNNHMNZSA-N
Formula: C34H54O4
Molecular Weight: 526.791441
Exact Mass: 526.40221
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) | 32.4 |
| 2 (CH2) | 22.7 |
| 3 (CH) | 78.1 |
| 4 (C) | 36.3 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 31.9 |
| 8 (C) | 40 |
| 9 (CH) | 46.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 122.6 |
| 13 (C) | 142.9 |
| 14 (C) | 43.7 |
| 15 (CH2) | 33.6 |
| 16 (CH) | 69.8 |
| 17 (C) | 36.5 |
| 18 (CH) | 49.9 |
| 19 (CH2) | 46.5 |
| 20 (C) | 30.8 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 30.8 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 22.6 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 27 |
| 28 (CH3) | 21.9 |
| 29 (CH3) | 33 |
| 30 (CH3) | 23.8 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.2 |
| 16a (C) | 170.8 |
| 16b (CH3) | 21.2 |
