8,14-Secooleana-8(26),13-diene-3beta-ol acetate

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