N,N'-Bis[1-[(2Z,6Z,9R)-2,6-dimethyl-1,5-cyclodecadiene-9beta-yl]-1-methylethyl]urea

N,N'-Bis[1-[(2Z,6Z,9R)-2,6-dimethyl-1,5-cyclodecadiene-9beta-yl]-1-methylethyl]urea

Common Name: N,N'-Bis[1-[(2Z,6Z,9R)-2,6-dimethyl-1,5-cyclodecadiene-9beta-yl]-1-methylethyl]urea

Synonyms: N,N'-Bis[1-[(2Z,6Z,9R)-2,6-dimethyl-1,5-cyclodecadiene-9beta-yl]-1-methylethyl]urea

CAS Registry Number:

InChI: InChI=1S/C31H52N2O/c1-23-11-9-12-24(2)16-20-27(19-15-23)30(5,6)32-29(34)33-31(7,8)28-21-17-25(3)13-10-14-26(4)18-22-28/h11,13,16,18,27-28H,9-10,12,14-15,17,19-22H2,1-8H3,(H2,32,33,34)/b23-11-,24-16-,25-13-,26-18-/t27-,28-/m1/s1

InChIKey: InChIKey=NONDACGLMDJFJO-JAJMBQQPSA-N

Formula: C31H52N2O1

Molecular Weight: 468.758623

Exact Mass: 468.407964

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Satitpatipan, V., Suwanborirux, K. J Nat Prod (2004) 67, 503-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) 124.6
2 (CH2) 22.7
3 (CH2) 36.8
4 (C) 133.7
5 (CH) 120.7
6 (CH2) 26.6
7 (CH) 41.2
8 (CH2) 24.6
9 (CH2) 31.5
10 (C) 131.1
11 (C) 57.4
12 (CH3) 21.4
13 (CH3) 17.7
14 (CH3) 23.4
15 (CH3) 25.8
16 (C) 155.9
1' (CH) 124.6
2' (CH2) 22.7
3' (CH2) 36.8
4' (C) 133.7
5' (CH) 120.7
6' (CH2) 26.6
7' (CH) 41.2
8' (CH2) 24.6
9' (CH2) 31.5
10' (C) 131.1
11' (C) 57.4
12' (CH3) 21.4
13' (CH3) 17.7
14' (CH3) 23.4
15' (CH3) 25.8