Cycloart-25-3β,24-diol diacetate

Cycloart-25-3β,24-diol diacetate

Common Name: Cycloart-25-3β,24-diol diacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H54O4/c1-21(2)26(37-23(4)35)11-10-22(3)25-14-16-32(9)28-13-12-27-30(6,7)29(38-24(5)36)15-17-33(27)20-34(28,33)19-18-31(25,32)8/h22,25-29H,1,10-20H2,2-9H3/t22-,25-,26?,27+,28+,29+,31-,32+,33-,34+/m1/s1

InChIKey: InChIKey=ZXVNYYJTAHVDGQ-NEFZWEDBSA-N

Formula: C34H54O4

Molecular Weight: 526.791441

Exact Mass: 526.40221

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - de Pascual Teresa, J., Urones, J.G., Marcos, I.S., Basabe, P., Sexmero Cuadrado, M.J., Fernandez Moro, R. Phytochemistry (1987) 26, 1767-76

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) 31.67
2 (CH2) 26.86
3 (CH) 80.74
4 (C) 39.52
5 (CH) 47.25
6 (CH2) 20.95
7 (CH2) 28.08
8 (CH) 47.82
9 (C) 20.22
10 (C) 26.1
11 (CH2) 25.85
12 (CH2) 35.56
13 (C) 45.39
14 (C) 48.9
15 (CH2) 32.93
16 (CH2) 26.57
17 (CH) 52.18
18 (CH3) 17.99
19 (CH2) 29.77
20 (CH) 35.82
21 (CH3) 18.31
22 (CH2) 31.67
23 (CH2) 29.52
24 (CH) 77.69
25 (C) 143.55
26 (CH2) 112.46
27 (CH3) 18.24
28 (CH3) 19.35
29 (CH3) 15.18
30 (CH3) 25.47
3a (C) 170.9
3b (CH3) 21.31
24a (C) 170.8
24b (CH3) 21.24