(1S,4S,6S,8R,9R,15R,19S)-6-(3-Furyl)-9-methyl-3,5-dioxa-12,13-diazapentacyclo[9.8.0.01,15.04,8.08,19]nonadec-11-en-15-ol

(1S,4S,6S,8R,9R,15R,19S)-6-(3-Furyl)-9-methyl-3,5-dioxa-12,13-diazapentacyclo[9.8.0.01,15.04,8.08,19]nonadec-11-en-15-ol

Common Name: (1S,4S,6S,8R,9R,15R,19S)-6-(3-Furyl)-9-methyl-3,5-dioxa-12,13-diazapentacyclo[9.8.0.01,15.04,8.08,19]nonadec-11-en-15-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26N2O4/c1-12-7-16-20-11-25-17-19(12,8-14(26-17)13-4-6-24-9-13)15(20)3-2-5-18(20,23)10-21-22-16/h4,6,9,12,14-15,17,21,23H,2-3,5,7-8,10-11H2,1H3/t12-,14+,15-,17?,18+,19-,20+/m1/s1

InChIKey: InChIKey=LLUKIZDNMWAUJC-FWVNZNOQSA-N

Formula: C20H26N2O4

Molecular Weight: 358.432283

Exact Mass: 358.189257

NMR Solvent: CDCl3

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) 26.7
2 (CH2) 21.9
3 (CH2) 33.3
4 (C) 68.5
5 (C) 44.4
6 (C) 158.5
7 (CH2) 39.8
8 (CH) 39.3
9 (C) 49.7
10 (CH) 50.9
11 (CH2) 39
12 (CH) 73.1
13 (C) 126.1
14 (CH) 108.6
15 (CH) 143.5
16 (CH) 139.5
17 (CH3) 16.2
18 (CH2) 49.7
19 (CH2) 62.4
20 (CH) 102.8