Cyclounifolioside C

Cyclounifolioside C

Common Name: Cyclounifolioside C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H62O10/c1-18(8-9-23(40)32(4,5)44)25-20(39)15-34(7)22-14-19(38)29-31(2,3)24(46-30-28(43)27(42)26(41)21(16-37)45-30)10-11-36(29)17-35(22,36)13-12-33(25,34)6/h18-30,37-44H,8-17H2,1-7H3/t18-,19+,20+,21-,22+,23-,24+,25+,26-,27+,28-,29+,30+,33-,34+,35+,36-/m1/s1

InChIKey: InChIKey=DAIWNSRTSAKURT-PXNSIBHJSA-N

Formula: C36H62O10

Molecular Weight: 654.872868

Exact Mass: 654.434298

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57

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) 32.16
2 (CH2) 32.91
3 (CH) 88.81
4 (C) 42.36
5 (CH) 53.83
6 (CH) 67.7
7 (CH2) 38.16
8 (CH) 46.76
9 (C) 21.02
10 (C) 29.91
11 (CH2) 26.06
12 (CH2) 32.91
13 (C) 45.45
14 (C) 46.64
15 (CH2) 48.43
16 (CH) 71.47
17 (CH) 56.99
18 (CH3) 18.51
19 (CH2) 29.14
20 (CH) 31.35
21 (CH3) 18.69
22 (CH2) 34.58
23 (CH2) 29.7
24 (CH) 80.29
25 (C) 72.46
26 (CH3) 25.62
27 (CH3) 25.86
28 (CH3) 28.66
29 (CH3) 19.95
30 (CH3) 16.44
1' (CH) 106.66
2' (CH) 75.66
3' (CH) 78.48
4' (CH) 71.61
5' (CH) 77.89
6' (CH2) 62.79