(1S,4S,6S,8R,9R,13R,16R)-13-[(Dimethylamino)methyl]-6-(3-furyl)-13-hydroxy-16-methyl-3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecan-14-one

(1S,4S,6S,8R,9R,13R,16R)-13-[(Dimethylamino)methyl]-6-(3-furyl)-13-hydroxy-16-methyl-3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecan-14-one

Common Name: (1S,4S,6S,8R,9R,13R,16R)-13-[(Dimethylamino)methyl]-6-(3-furyl)-13-hydroxy-16-methyl-3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecan-14-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H31NO5/c1-14-9-18(24)22-13-27-19-21(14,10-16(28-19)15-6-8-26-11-15)17(22)5-4-7-20(22,25)12-23(2)3/h6,8,11,14,16-17,19,25H,4-5,7,9-10,12-13H2,1-3H3/t14-,16+,17-,19?,20+,21-,22+/m1/s1

InChIKey: InChIKey=DMFOAYMQNJYNFS-SBARNUNTSA-N

Formula: C22H31N1O5

Molecular Weight: 389.486121

Exact Mass: 389.220223

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Rodriguez, B., Delatorre, M.C., Simmonds, M.S.J., Blaney, W.M., Boneva, I.M. Phytochemistry (1994) 37, 147-57

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 24.2
2 (CH2) 22.5
3 (CH2) 31.7
4 (C) 80.3
5 (C) 46.3
6 (C) 216.1
7 (CH2) 46.7
8 (CH) 34.9
9 (C) 53.6
10 (CH) 42.2
11 (CH2) 38.5
12 (CH) 70.2
13 (C) 129.1
14 (CH) 109.5
15 (CH) 144.3
16 (CH) 139.7
17 (CH3) 17
18 (CH2) 64.9
19 (CH2) 63.8
20 (CH) 100.8
18a (CH3) 47.4
18b (CH3) 47.4