heteranthin

heteranthin

Common Name: heteranthin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H34O3/c1-19(11-8-9-14-21(3)25(28)29-7)12-10-13-20(2)15-16-24-22(4)17-23(27)18-26(24,5)6/h8-17,24H,18H2,1-7H3/b9-8+,12-10+,16-15+,19-11+,20-13+,21-14+/t24-/m1/s1

InChIKey: InChIKey=NRLVZXUWVPUCFW-WFCITUQGSA-N

Formula: C26H34O3

Molecular Weight: 394.547334

Exact Mass: 394.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mendez-Robles, M.D., Permady, H.H., Jaramillo-Flores, M.E., Lugo-Cervantes, E.C., Cardador-Martinez, A., Canales-Aguirre, A.A., Lopez-Dellamary, F., Cerda-Garcia-Rojas, C.M., Tamariz, J. J Nat Prod (2006) 69, 1140-4

Species:

Notes: Family : Terpenoids, Type : Miscellanea, Group : Apocarotenoids; 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 (C) 37
2 (CH2) 47.8
3 (C) 198.1
4 (CH) 125.2
5 (C) 161.4
6 (CH) 56.6
7 (CH) 125.8
8 (CH) 137.8
9 (C) 135
10 (CH) 131.2
11 (CH) 125.6
12 (CH) 137.2
13 (C) 139
14 (CH) 131.2
15 (CH) 135.2
16 (CH3) 27.9
17 (CH3) 28.4
18 (CH3) 24.2
19 (CH3) 13.7
20 (CH3) 13.4
1' (CH) 127.8
2' (CH) 138.2
3' (C) 126
4' (C) 168
5' (CH3) 13.5
4'a (CH3) 52.1