25-methylenecyclopholidonyl p-hydroxy-trans-cinnamate

25-methylenecyclopholidonyl p-hydroxy-trans-cinnamate

Common Name: 25-methylenecyclopholidonyl p-hydroxy-trans-cinnamate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H58O3/c1-26(2)36(5,6)20-17-27(3)31-18-21-38(8)34-15-14-32-28(4)33(43-35(42)16-11-29-9-12-30(41)13-10-29)19-22-39(32)25-40(34,39)24-23-37(31,38)7/h9-13,16,27-28,31-34,41H,1,14-15,17-25H2,2-8H3/b16-11+/t27-,28+,31+,32+,33+,34+,37-,38+,39-,40+/m1/s1

InChIKey: InChIKey=ZBFQUNDXQCXJAU-ZDNZKOIFSA-N

Formula: C40H58O3

Molecular Weight: 586.888214

Exact Mass: 586.438596

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bi, Z.M., Wang, Z.T., Xu, L.S. Chin Chem Lett (2004) 15, 1179-81

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) 31.1
2 (CH2) 35.1
3 (CH) 78.7
4 (CH) 41.7
5 (CH) 43.5
6 (CH2) 24.7
7 (CH2) 28.1
8 (CH) 46.9
9 (C) 23.7
10 (C) 29.4
11 (CH2) 25.1
12 (CH2) 35.4
13 (C) 45.3
14 (C) 48.9
15 (CH2) 32.8
16 (CH2) 27.3
17 (CH) 52.1
18 (CH3) 17.8
19 (CH2) 27
20 (CH) 36.6
21 (CH3) 18.5
22 (CH2) 30.8
23 (CH2) 37.4
24 (C) 38.7
25 (C) 152.4
26 (CH2) 109.3
27 (CH3) 19.4
28 (CH3) 14.5
30 (CH3) 19.1
3a (C) 167.2
3b (CH) 116.4
3c (CH) 144
3d (C) 127.5
3e (CH) 129.9
3f (CH) 115.8
3g (C) 157.4
3h (CH) 115.8
3i (CH) 129.9
24a (CH3) 27.2
24b (CH3) 27.5