Cheilocline H

Cheilocline H

Common Name: Cheilocline H

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C45H62O4/c1-26(2)29-13-12-27(3)31-23-37-45(10,33(31)22-29)49-38-28(4)30-14-15-35-42(7,32(30)24-34(38)48-37)19-21-44(9)36-25-41(6,39(46)47-11)17-16-40(36,5)18-20-43(35,44)8/h14-15,24,27,29,35-37H,1,12-13,16-23,25H2,2-11H3/t27?,29?,35-,36+,37+,40+,41+,42-,43+,44-,45-/m0/s1

InChIKey: InChIKey=FKVSDMAKVBZPKF-GKADBMJJSA-N

Formula: C45H62O4

Molecular Weight: 666.973062

Exact Mass: 666.46481

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mesa-Siverio, D., Chavez, H., Estevez-Braun, A., Ravelo, A.G. Tetrahedron (2005) 61, 429-36

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) 107.6
2 (C) 145.8
3 (C) 136.2
4 (C) 122.7
5 (C) 124
6 (CH) 124.2
7 (CH) 128.3
8 (CH) 45.63
9 (C) 37.3
10 (C) 143
11 (CH2) 31.1
12 (CH2) 30.08
13 (C) 39.02
14 (C) 38.94
15 (CH2) 28.21
16 (CH2) 36.42
17 (C) 30.41
18 (CH) 44.51
19 (CH2) 30.57
20 (C) 40.54
21 (CH2) 30.02
22 (CH2) 36.03
23 (CH3) 11.03
25 (CH3) 22.28
26 (CH3) 16.89
27 (CH3) 17.47
28 (CH3) 31.79
29 (C) 179.1
30 (CH3) 32.13
1' (C) 135.4
2' (CH2) 36.52
3' (CH) 74.2
4' (C) 89.9
5' (C) 137.7
6' (CH2) 32.11
7' (CH) 49.65
8' (CH2) 29.71
9' (CH2) 39.56
10' (CH) 42.56
11' (C) 150.7
12' (CH2) 108.7
13' (CH3) 20.38
14' (CH3) 17.1
15' (CH3) 14.02
29a (CH3) 51.55