N-Methoxy-N-[(2E)-3-methyl-5-[(1S)-1,2alpha,5,5-tetramethyl-1,2,3,4,4abeta,5,6,7-octahydronaphthalene-1beta-yl]-2-pentenyl]-9-methyl-9H-purine-6-amine

N-Methoxy-N-[(2E)-3-methyl-5-[(1S)-1,2alpha,5,5-tetramethyl-1,2,3,4,4abeta,5,6,7-octahydronaphthalene-1beta-yl]-2-pentenyl]-9-methyl-9H-purine-6-amine

Common Name: N-Methoxy-N-[(2E)-3-methyl-5-[(1S)-1,2alpha,5,5-tetramethyl-1,2,3,4,4abeta,5,6,7-octahydronaphthalene-1beta-yl]-2-pentenyl]-9-methyl-9H-purine-6-amine

Synonyms: N-Methoxy-N-[(2E)-3-methyl-5-[(1S)-1,2alpha,5,5-tetramethyl-1,2,3,4,4abeta,5,6,7-octahydronaphthalene-1beta-yl]-2-pentenyl]-9-methyl-9H-purine-6-amine

CAS Registry Number:

InChI: InChI=1S/C27H41N5O/c1-19(13-16-32(33-7)25-23-24(28-17-29-25)31(6)18-30-23)12-15-27(5)20(2)10-11-21-22(27)9-8-14-26(21,3)4/h9,13,17-18,20-21H,8,10-12,14-16H2,1-7H3/b19-13+/t20-,21+,27+/m1/s1

InChIKey: InChIKey=DCMWZAJLJOIYEV-XTBWPWFWSA-N

Formula: C27H41N5O1

Molecular Weight: 451.648561

Exact Mass: 451.331111

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marcos, I.S., Garcia, N., Sexmero, M.J., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2005) 61, 11672-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) 119.6
2 (CH2) 23.5
3 (CH2) 33.3
4 (C) 31.3
5 (CH) 43.3
6 (CH2) 23
7 (CH2) 29.1
8 (CH) 39
9 (C) 42.8
10 (C) 141.7
11 (CH2) 37.4
12 (CH2) 34.3
13 (C) 141.6
14 (CH) 117.7
15 (CH2) 48.2
16 (CH3) 16.7
17 (CH3) 15.5
18 (CH3) 25.9
19 (CH3) 28.1
20 (CH3) 22.2
2' (CH) 152.3
4' (C) 151.7
5' (C) 119.2
6' (C) 155.9
8' (CH) 140.8
15a (CH3) 62.5
9'a (CH3) 29.7