3β-acetoxycycloart-24,25-diol

3β-acetoxycycloart-24,25-diol

Common Name: 3β-acetoxycycloart-24,25-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H54O4/c1-20(9-12-25(34)28(5,6)35)22-13-15-30(8)24-11-10-23-27(3,4)26(36-21(2)33)14-16-31(23)19-32(24,31)18-17-29(22,30)7/h20,22-26,34-35H,9-19H2,1-8H3/t20-,22-,23+,24+,25-,26+,29-,30+,31-,32+/m1/s1

InChIKey: InChIKey=CHYZWIVQCJNRIW-MJPHYXGASA-N

Formula: C32H54O4

Molecular Weight: 502.769969

Exact Mass: 502.40221

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) 31.66
2 (CH2) 26.84
3 (CH) 80.78
4 (C) 39.49
5 (CH) 47.22
6 (CH2) 20.95
7 (CH2) 28.18
8 (CH) 47.83
9 (C) 20.2
10 (C) 26.09
11 (CH2) 25.84
12 (CH2) 35.56
13 (C) 45.39
14 (C) 48.88
15 (CH2) 32.96
16 (CH2) 26.84
17 (CH) 52.39
18 (CH3) 18.04
19 (CH2) 29.78
20 (CH) 36.43
21 (CH3) 18.22
22 (CH2) 33.2
23 (CH2) 28.49
24 (CH) 79.65
25 (C) 73.14
26 (CH3) 23.33
27 (CH3) 26.58
28 (CH3) 19.35
29 (CH3) 15.18
30 (CH3) 25.46
3a (C) 170.94
3b (CH3) 21.32