Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H18O8/c1-6-9-10(22-14(6)19)12(21-7(2)18)16(3)8(24-16)4-5-17-13(25-17)11(9)23-15(17)20/h8,10-13H,4-5H2,1-3H3/t8-,10+,11-,12+,13+,16-,17-/m1/s1
InChIKey: InChIKey=BTFYCCJHXMPDKJ-DQVRROIYSA-N
Formula: C17H18O8
Molecular Weight: 350.320683
Exact Mass: 350.100168
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, K.S., Chang, F.R., Chiang, M.Y., Wu, Y.C. J Nat Prod (1999) 62, 622-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 56.82 |
2 (CH2) | 21.13 |
3 (CH2) | 21.37 |
4 (C) | 58.92 |
5 (CH) | 59.56 |
6 (CH) | 74.4 |
7 (C) | 152.77 |
8 (CH) | 82.08 |
9 (CH) | 70.46 |
10 (C) | 59.31 |
11 (C) | 130.92 |
12 (C) | 169.07 |
13 (CH3) | 10 |
14 (CH3) | 15.3 |
15 (C) | 170.44 |
9a (C) | 169.83 |
9b (CH3) | 20.39 |