(1R,2S,7S,13R)-2,6,6,13-Tetramethyltetracyclo[11.2.1.01,10.02,7]hexadeca-8,10-dien-12-one

(1R,2S,7S,13R)-2,6,6,13-Tetramethyltetracyclo[11.2.1.01,10.02,7]hexadeca-8,10-dien-12-one

Common Name: (1R,2S,7S,13R)-2,6,6,13-Tetramethyltetracyclo[11.2.1.01,10.02,7]hexadeca-8,10-dien-12-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O/c1-17(2)8-5-9-19(4)15(17)7-6-14-12-16(21)18(3)10-11-20(14,19)13-18/h6-7,12,15H,5,8-11,13H2,1-4H3/t15-,18-,19-,20-/m0/s1

InChIKey: InChIKey=MRPUBVPALACJGS-KNTRFNDTSA-N

Formula: C20H28O1

Molecular Weight: 284.436464

Exact Mass: 284.214016

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gonzalez, M.A., Zaragoza, R.J. Magn Reson Chem (2005) 43, 877-80

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Thyrsifloranes; 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) 31.21
2 (CH2) 18.25
3 (CH2) 41.06
4 (C) 32.8
5 (CH) 50
6 (CH) 127.25
7 (CH) 138.42
8 (C) 163.03
9 (C) 56.57
10 (C) 38.14
11 (CH2) 43.06
12 (C) 50.98
13 (C) 205.28
14 (CH) 122.54
15 (CH2) 33.11
16 (CH2) 29.14
17 (CH3) 20.34
18 (CH3) 33.05
19 (CH3) 22.71
20 (CH3) 18.4