Common Name: 11-Acetoxytorilolone
Synonyms: 11-Acetoxytorilolone
CAS Registry Number:
InChI: InChI=1S/C17H26O4/c1-9-6-16(20)14(17(4,5)21-11(3)18)7-13-10(2)15(19)8-12(9)13/h9,12,14,16,20H,6-8H2,1-5H3/t9-,12+,14-,16+/m0/s1
InChIKey: InChIKey=PSVQRRSHJWNFPZ-UODBANLJSA-N
Formula: C17H26O4
Molecular Weight: 294.38659
Exact Mass: 294.183109
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yi, T., Zhang, L., Fu, H.W., Yang, S.L., Tian, J.K. Helv Chim Acta (2009) 92, 2769-73
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) | 52.7 |
2 (CH2) | 42.5 |
3 (C) | 211.7 |
4 (C) | 135.8 |
5 (C) | 179.4 |
6 (CH2) | 26.8 |
7 (CH) | 51.3 |
8 (CH) | 73.9 |
9 (CH2) | 41.4 |
10 (CH) | 35 |
11 (C) | 73.4 |
12 (CH3) | 28.7 |
13 (CH3) | 27.2 |
14 (CH3) | 23.4 |
15 (CH3) | 8.2 |
11a (C) | 172.3 |
11b (CH3) | 21.8 |