Euscaphic acid (Jacarandic acid, Acuminatic acid)

Euscaphic acid (Jacarandic acid, Acuminatic acid)

Common Name: Euscaphic acid (Jacarandic acid, Acuminatic acid)

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23-,26+,27-,28-,29-,30+/m1/s1

InChIKey: InChIKey=OXVUXGFZHDKYLS-QUFHAEKXSA-N

Formula: C30H48O5

Molecular Weight: 488.700258

Exact Mass: 488.350175

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Gray L.G.Y.A.I., Waterman P.G. J. J Nat Prod (1989) 52, 162-6

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) 41.4
2 (CH) 65.2
3 (CH) 78.3
4 (C) 37.8
5 (CH) 47.7
6 (CH2) 17.7
7 (CH2) 32.5
8 (C) 39.6
9 (CH) 46.6
10 (C) 37.7
11 (CH2) 23.1
12 (CH) 127
13 (C) 138.9
14 (C) 41.8
15 (CH2) 28.2
16 (CH2) 25.4
17 (C) 47.3
18 (CH) 53.6
19 (C) 71.8
20 (CH) 41.2
21 (CH2) 26
22 (CH2) 37.5
23 (CH3) 28.4
24 (CH3) 21.4
25 (CH3) 15.8
26 (CH3) 16.3
27 (CH3) 23.7
28 (C) 179.7
29 (CH3) 26.2
30 (CH3) 15.7