Kirkinine

Kirkinine

Common Name: Kirkinine

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C38H56O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-46-32-28-31-34(22-39,45-31)33(42)36(43)27(21-24(4)29(36)41)38(28,48-35)25(5)30(44-26(6)40)37(32,47-35)23(2)3/h19-21,25,27-28,30-33,39,42-43H,2,7-18,22H2,1,3-6H3/b20-19+/t25-,27-,28?,30-,31+,32-,33-,34+,35?,36-,37+,38+/m1/s1

InChIKey: InChIKey=MDZJGGUQWHZDTA-VWMLUZMSSA-N

Formula: C38H56O10

Molecular Weight: 672.846696

Exact Mass: 672.387348

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - He, W., Cik, M., Lesage, A., Van der Linden, I., De Kimpe, N., Appendino, G., Bracke, J., Mathenge, S.G., Mudida, F.P., Leysen, J.E., Van Puyvelde, L. J Nat Prod (2000) 63, 1185-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Daphnanes; 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) 160.5
2 (C) 136.8
3 (C) 209.5
4 (C) 72.2
5 (CH) 72
6 (C) 60.4
7 (CH) 64.2
8 (CH) 35.3
9 (C) 78.2
10 (CH) 47.4
11 (CH) 44
12 (CH) 78.8
13 (C) 83.5
14 (CH) 80.4
15 (C) 143.1
16 (CH3) 18.7
17 (CH2) 113.3
18 (CH3) 18.2
19 (CH3) 9.9
20 (CH2) 65.1
1' (C) 116.7
2' (CH) 122.8
3' (CH) 137.2
4' (CH2) 31.9
5' (CH2) 28.2
6' (CH2) 29.7
7' (CH2) 29.7
8' (CH2) 29.6
9' (CH2) 29.6
10' (CH2) 29.5
11' (CH2) 29.4
12' (CH2) 29.3
13' (CH2) 29.3
14' (CH2) 31.8
15' (CH2) 22.7
16' (CH3) 14.1
12a (C) 169.7
12b (CH3) 21.1