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)
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 |