(1S,2S,7S,9S,10S,12R,13S)-2,6,6,13-Tetramethyltetracyclo[11.2.1.01,10.02,7]hexadecane-9,12-diyl diacetate

(1S,2S,7S,9S,10S,12R,13S)-2,6,6,13-Tetramethyltetracyclo[11.2.1.01,10.02,7]hexadecane-9,12-diyl diacetate

Common Name: (1S,2S,7S,9S,10S,12R,13S)-2,6,6,13-Tetramethyltetracyclo[11.2.1.01,10.02,7]hexadecane-9,12-diyl diacetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H38O4/c1-15(25)27-18-13-19-21(3,4)8-7-9-23(19,6)24-11-10-22(5,14-24)20(12-17(18)24)28-16(2)26/h17-20H,7-14H2,1-6H3/t17-,18+,19+,20-,22+,23+,24+/m1/s1

InChIKey: InChIKey=GUTPMDALNDNXIV-NFWWSSJYSA-N

Formula: C24H38O4

Molecular Weight: 390.55703

Exact Mass: 390.27701

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) 32.25
2 (CH2) 18.61
3 (CH2) 41.92
4 (C) 33.14
5 (CH) 45.89
6 (CH2) 28.01
7 (CH) 76.04
8 (CH) 41.8
9 (C) 53.24
10 (C) 38.41
11 (CH2) 44.5
12 (C) 43.04
13 (CH) 77.83
14 (CH2) 30.5
15 (CH2) 31.94
16 (CH2) 25.85
17 (CH3) 23.03
18 (CH3) 33.48
19 (CH3) 21.94
20 (CH3) 17.5
7a (C) 170.99
7b (CH3) 21.34
13a (C) 170.97
13b (CH3) 21.23