16-O-acetylpolyporenic acid C

16-O-acetylpolyporenic acid C

Common Name: 16-O-acetylpolyporenic acid C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C33H48O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(38-21(4)34)18-33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(28,33)8/h12,14,19,22,25-26,28H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,28+,31-,32-,33+/m1/s1

InChIKey: InChIKey=FPLFOXNTFUNRIC-SJXZRTDNSA-N

Formula: C33H48O5

Molecular Weight: 524.732465

Exact Mass: 524.350175

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rosecke, J., Konig, W.A. Phytochemistry (2000) 54, 757-62

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) 36.7
2 (CH2) 34.75
3 (C) 216.47
4 (C) 47.48
5 (CH) 50.67
6 (CH2) 23.66
7 (CH) 121.16
8 (C) 141.29
9 (C) 144.48
10 (C) 37.28
11 (CH) 116.51
12 (CH2) 35.43
13 (C) 43.82
14 (C) 48.55
15 (CH2) 40.92
16 (CH) 78.71
17 (CH) 53.06
18 (CH3) 17.11
19 (CH3) 22
20 (CH) 46.07
21 (C) 180.53
22 (CH2) 29.94
23 (CH2) 31.66
24 (C) 154.82
25 (CH) 34.02
26 (CH3) 21.85
27 (CH3) 21.9
28 (CH3) 22.42
29 (CH3) 25.33
30 (CH3) 25.65
16a (C) 170.79
16b (CH3) 21.33
24a (CH2) 106.85