Spektraris NMR
8,14-Secooleana-8(26),13-diene-3beta-ol acetate
Common Name: 8,14-Secooleana-8(26),13-diene-3beta-ol acetate
Synonyms: 8,14-Secooleana-8(26),13-diene-3beta-ol acetate
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-21-14-16-31(8)19-18-29(4,5)20-26(31)24(21)11-12-25-22(2)10-13-27-30(6,7)28(34-23(3)33)15-17-32(25,27)9/h25-28H,2,10-20H2,1,3-9H3/t25-,26-,27-,28-,31-,32+/m0/s1
InChIKey: InChIKey=MEAUGBBALJFYPA-SGBLTFEXSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roman, L.U., Guerra-Ramirez, D., Moran, G., Martinez, I., Hernandez, J.D., Cerda-Garcia-Rojas, C.M., Torres-Valencia, J.M., Joseph-Nathan, P. Org Lett (2004) 6, 173-6
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) | 36.5 |
| 2 (CH2) | 24.3 |
| 3 (CH) | 80.9 |
| 4 (C) | 38 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 23.9 |
| 7 (CH2) | 38 |
| 8 (C) | 148.1 |
| 9 (CH) | 56.7 |
| 10 (C) | 39.4 |
| 11 (CH2) | 22.9 |
| 12 (CH2) | 30.7 |
| 13 (C) | 134.2 |
| 14 (C) | 123.6 |
| 15 (CH2) | 29.5 |
| 16 (CH2) | 26.5 |
| 17 (C) | 31.5 |
| 18 (CH) | 43 |
| 19 (CH2) | 42.9 |
| 20 (C) | 31 |
| 21 (CH2) | 34.6 |
| 22 (CH2) | 36.5 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 14.5 |
| 26 (CH2) | 106.7 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 27.3 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 24.1 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
