(1S)-N,2,5,5,8abeta-Pentamethyl-N-methoxy-1,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1beta-acetamide

(1S)-N,2,5,5,8abeta-Pentamethyl-N-methoxy-1,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1beta-acetamide

Common Name: (1S)-N,2,5,5,8abeta-Pentamethyl-N-methoxy-1,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1beta-acetamide

Synonyms: (1S)-N,2,5,5,8abeta-Pentamethyl-N-methoxy-1,4,4aalpha,5,6,7,8,8a-octahydronaphthalene-1beta-acetamide

CAS Registry Number:

InChI: InChI=1S/C18H31NO2/c1-13-8-9-15-17(2,3)10-7-11-18(15,4)14(13)12-16(20)19(5)21-6/h8,14-15H,7,9-12H2,1-6H3/t14-,15-,18+/m0/s1

InChIKey: InChIKey=BWWVJBCYENEWKA-RLFYNMQTSA-N

Formula: C18H31N1O2

Molecular Weight: 293.444962

Exact Mass: 293.235479

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - De la Torre, M.C., Garcia, I., Sierra, M.A. J Nat Prod (2002) 65, 661-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 38.8
2 (CH2) 18.7
3 (CH2) 42
4 (C) 32.8
5 (CH) 48.9
6 (CH2) 23.6
7 (CH) 122.1
8 (C) 134.1
9 (CH) 49.7
10 (C) 35.8
11 (CH2) 29.1
12 (C) 175.4
15 (CH3) 61.1
16 (CH3) 32.7
17 (CH3) 21.7
18 (CH3) 33
19 (CH3) 21.3
20 (CH3) 14.2