(23Z)-3β.Acetoxycycloart-23-en-25-ol

(23Z)-3β.Acetoxycycloart-23-en-25-ol

Common Name: (23Z)-3β.Acetoxycycloart-23-en-25-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H52O3/c1-21(10-9-15-27(3,4)34)23-13-16-30(8)25-12-11-24-28(5,6)26(35-22(2)33)14-17-31(24)20-32(25,31)19-18-29(23,30)7/h9,15,21,23-26,34H,10-14,16-20H2,1-8H3/b15-9+/t21-,23-,24+,25+,26+,29-,30+,31-,32+/m1/s1

InChIKey: InChIKey=PFVNANMTCLAEEE-ZHACHMRBSA-N

Formula: C32H52O3

Molecular Weight: 484.754683

Exact Mass: 484.391646

NMR Solvent: C+C

MHz:

Calibration:

NMR references: 13C - Kitajima, J., Kimizuka, K., Tanaka, Y. Chem Pharm Bull (1998) 46, 1408-11

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) 31.6
2 (CH2) 26.46
3 (CH) 80.69
4 (C) 39.45
5 (CH) 47.16
6 (CH2) 20.91
7 (CH2) 25.81
8 (CH) 47.81
9 (C) 20.12
10 (C) 25.98
11 (CH2) 26.81
12 (CH2) 32.75
13 (C) 45.3
14 (C) 48.83
15 (CH2) 35.54
16 (CH2) 28.07
17 (CH) 52
18 (CH3) 18.04
19 (CH2) 29.76
20 (CH) 36.42
21 (CH3) 18.29
22 (CH2) 39.05
23 (CH) 125.62
24 (CH) 139.36
25 (C) 70.76
26 (CH3) 29.89
27 (CH3) 29.99
28 (CH3) 25.43
29 (CH3) 15.14
30 (CH3) 19.27
3a (C) 171.01
3b (CH3) 21.35