(1S,2S,7S,9S,10S,12R,13S)-12-Hydroxy-2,6,6,13-tetramethyltetracyclo[11.2.1.01,10.02,7]hexadec-9-yl acetate

(1S,2S,7S,9S,10S,12R,13S)-12-Hydroxy-2,6,6,13-tetramethyltetracyclo[11.2.1.01,10.02,7]hexadec-9-yl acetate

Common Name: (1S,2S,7S,9S,10S,12R,13S)-12-Hydroxy-2,6,6,13-tetramethyltetracyclo[11.2.1.01,10.02,7]hexadec-9-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O3/c1-14(23)25-16-12-17-19(2,3)7-6-8-21(17,5)22-10-9-20(4,13-22)18(24)11-15(16)22/h15-18,24H,6-13H2,1-5H3/t15-,16+,17+,18-,20+,21+,22+/m1/s1

InChIKey: InChIKey=ORLINPYCQIFYCV-ZELOLHMESA-N

Formula: C22H36O3

Molecular Weight: 348.520272

Exact Mass: 348.266445

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) 32.27
2 (CH2) 18.61
3 (CH2) 41.88
4 (C) 33.47
5 (CH) 45.85
6 (CH2) 27.94
7 (CH) 76.28
8 (CH) 41.99
9 (C) 53.1
10 (C) 38.34
11 (CH2) 44.49
12 (C) 44.1
13 (CH) 76
14 (CH2) 30.58
15 (CH2) 33.99
16 (CH2) 25.83
17 (CH3) 23.08
18 (CH3) 33.12
19 (CH3) 21.94
20 (CH3) 17.49
7a (C) 170.86
7b (CH3) 21.3