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)
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 |