Lycernuic acid A

Lycernuic acid A

Common Name: Lycernuic acid A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H54O8/c1-19(35)41-26-12-15-32(7)23-10-9-21-30(5,18-34(23,40)25(37)17-24(32)29(26,3)4)14-11-22-31(21,6)16-13-27(42-20(2)36)33(22,8)28(38)39/h21-27,37,40H,9-18H2,1-8H3,(H,38,39)/t21-,22+,23+,24-,25+,26?,27-,30-,31+,32+,33+,34-/m0/s1

InChIKey: InChIKey=PCUYHPFKNRRINO-PZCRKMSASA-N

Formula: C34H54O8

Molecular Weight: 590.789061

Exact Mass: 590.381869

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Zhang, Z., ElSohly, H.N., Jacob, M.R., Pasco, D.S., Walker, L.A., Clark, A.M. J Nat Prod (2002) 65, 979-85

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) 40.1
2 (CH2) 25.8
3 (CH) 81.6
4 (C) 49
5 (CH) 57.7
6 (CH2) 21.3
7 (CH2) 47.2
8 (C) 37.2
9 (CH) 63.4
10 (C) 39.3
11 (CH2) 27
12 (CH2) 29.3
13 (CH) 61.1
14 (C) 79.4
15 (CH) 73.2
16 (CH2) 29.5
17 (CH) 40.9
18 (C) 38.9
19 (CH2) 36.3
20 (CH2) 23.7
21 (CH) 78.4
22 (C) 38.6
23 (CH3) 25.5
24 (C) 179.3
25 (CH3) 15.1
26 (CH3) 22.6
27 (CH2) 55.8
28 (CH3) 16.6
29 (CH3) 22.5
30 (CH3) 28.1
3a (C) 171.9
3b (CH3) 21.9
21a (C) 170.9
21b (CH3) 21.4