Cheilocline C

Cheilocline C

Common Name: Cheilocline C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C45H62O4/c1-27(2)31-13-12-28(3)44-17-16-29(4)45(44,25-31)48-34-24-33-32(30(5)37(34)49-44)14-15-35-41(33,8)21-23-43(10)36-26-40(7,38(46)47-11)19-18-39(36,6)20-22-42(35,43)9/h14-16,24,28,31,35-36H,1,12-13,17-23,25-26H2,2-11H3/t28?,31?,35-,36+,39+,40+,41-,42+,43-,44+,45+/m0/s1

InChIKey: InChIKey=GZUMIASHHVEXKZ-ONPFNSTESA-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) 107.65
2 (C) 141.4
3 (C) 141.37
4 (C) 120.8
5 (C) 124.42
6 (CH) 123.57
7 (CH) 127.69
8 (CH) 44.79
9 (C) 36.31
10 (C) 141.35
11 (CH2) 30.36
12 (CH2) 29.17
13 (C) 38.07
14 (C) 38.18
15 (CH2) 27.35
16 (CH2) 35.59
17 (C) 29.56
18 (CH) 43.66
19 (CH2) 29.22
20 (C) 39.7
21 (CH2) 29.78
22 (CH2) 36.13
23 (CH3) 9.95
25 (CH3) 21.57
26 (CH3) 16.04
27 (CH3) 16.64
28 (CH3) 30.98
29 (C) 178.28
30 (CH3) 31.33
1' (C) 90.35
2' (C) 44.63
3' (CH) 124.42
4' (CH2) 141.2
5' (C) 89.4
6' (CH) 35.18
7' (CH2) 39.87
8' (CH2) 35.81
9' (CH) 29.68
10' (CH2) 43.03
11' (C) 150.58
12' (CH2) 108.01
13' (CH3) 20.06
14' (CH3) 17.84
15' (CH3) 10.69
29a (CH3) 50.73