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)
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 |