(4aS*,8aR*,8aS*)-1,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,8α-dimethyl-5-methylidene- 2H-benzo[f ]indol-2-one

(4aS*,8aR*,8aS*)-1,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,8α-dimethyl-5-methylidene- 2H-benzo[f ]indol-2-one

Common Name: (4aS*,8aR*,8aS*)-1,4,4a,5,6,7,8,8a,9,9a-Decahydro-3,8α-dimethyl-5-methylidene- 2H-benzo[f ]indol-2-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H21NO/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(17)16-13/h12-13H,1,4-8H2,2-3H3,(H,16,17)/t12-,13-,15+/m0/s1

InChIKey: InChIKey=ZAIITMOYCDDKAX-KCQAQPDRSA-N

Formula: C15H21N1O1

Molecular Weight: 231.333942

Exact Mass: 231.162314

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cheng, Y.B., Chen, C.Y., Kuo, Y.H., Shen, Y.C. Chem Biodiversity (2009) 6, 1266-72

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 40.9
2 (CH2) 22.6
3 (CH2) 36.4
4 (C) 149.2
5 (CH) 50.1
6 (CH2) 25.4
7 (C) 155.7
8 (CH) 54.4
9 (CH2) 48.3
10 (C) 36.5
11 (C) 125.1
12 (C) 175.4
13 (CH3) 8
14 (CH3) 16.3
15 (CH2) 106.5