Swatinine

Swatinine

Common Name: Swatinine

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H41NO8/c1-6-26-11-21(12-27)8-7-15(32-3)24-18(21)19(34-5)25(30,20(24)26)23(29)10-14(31-2)13-9-22(24,28)17(23)16(13)33-4/h13-20,27-30H,6-12H2,1-5H3/t13-,14+,15+,16+,17+,18-,19-,20?,21+,22+,23-,24-,25+/m1/s1

InChIKey: InChIKey=OENTVFFHLKZTAK-UYLKEQLQSA-N

Formula: C25H41N1O8

Molecular Weight: 483.595951

Exact Mass: 483.283217

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Shaheen, F., Ahmad, M., Khan, M.T., Jalil, S., Ejaz, A., Sultankhodjaev, M.N., Arfan, M., Choudhary, M.I., Atta ur, R. Phytochemistry (2005) 66, 935-40

Species:

Notes: Family : Alkaloids, Type : Diterpenoids, Group : Aconitanes; 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 (CH) 77.4
2 (CH2) 25.9
3 (CH2) 31.2
4 (C) 38.3
5 (CH) 45.3
6 (CH) 91.1
7 (C) 87.6
8 (C) 75.7
9 (CH) 53.6
10 (C) 81.2
11 (C) 54.4
12 (CH2) 39.2
13 (CH) 38
14 (CH) 82
15 (CH2) 34.6
16 (CH) 82.4
17 (CH) 65.1
18 (CH2) 67.7
19 (CH2) 52.6
1a (CH3) 55.5
6a (CH3) 58
14a (CH3) 57.8
16a (CH3) 56.1
19a (CH2) 51.1
19b (CH3) 14