Tsugaric acid A

Tsugaric acid A

Common Name: Tsugaric acid A

Synonyms: Tsugaric acid A

CAS Registry Number:

InChI: InChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)/t22-,23-,26+,27-,30-,31-,32+/m1/s1

InChIKey: InChIKey=FIWGZIBLJWZUEA-CAHOJKFZSA-N

Formula: C32H50O4

Molecular Weight: 498.738206

Exact Mass: 498.37091

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ràsecke, J., Kànig, W.A. Phytochemistry (1999) 52, 1621-7

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) 30.39
2 (CH2) 23.42
3 (CH) 77.93
4 (C) 36.8
5 (CH) 45.39
6 (CH2) 17.99
7 (CH2) 26
8 (C) 134.54
9 (C) 133.92
10 (C) 36.93
11 (CH2) 20.88
12 (CH2) 28.99
13 (C) 44.29
14 (C) 49.6
15 (CH2) 30.92
16 (CH2) 27.06
17 (CH) 47.2
18 (CH3) 16.01
19 (CH3) 18.87
20 (CH) 47.68
21 (C) 182.93
22 (CH2) 32.53
23 (CH2) 25.94
24 (CH) 123.62
25 (C) 132.27
26 (CH3) 17.67
27 (CH3) 25.71
28 (CH3) 21.89
29 (CH3) 27.59
30 (CH3) 24.58
3a (C) 170.84
3b (CH3) 21.36