Lancerotriol 9-acetate-6-p-hydroxybenzoate

Lancerotriol 9-acetate-6-p-hydroxybenzoate

Common Name: Lancerotriol 9-acetate-6-p-hydroxybenzoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H32O6/c1-14(2)24(28)11-10-23(5)13-20(29-16(4)25)15(3)12-19(21(23)24)30-22(27)17-6-8-18(26)9-7-17/h6-9,12,14,19-21,26,28H,10-11,13H2,1-5H3/t19-,20-,21?,23+,24+/m0/s1

InChIKey: InChIKey=XLXAJOASBOPLDJ-ZBLNOIILSA-N

Formula: C24H32O6

Molecular Weight: 416.508195

Exact Mass: 416.219889

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmed, A.A., Abdel-Razek, M.H., Nassar, M.I., Izumi, S., Ohta, S., Hirata, T. Phytochemistry (2001) 57, 513-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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 (C) 42.1
2 (CH2) 41.6
3 (CH2) 31.5
4 (C) 86.5
5 (CH) 54.6
6 (CH) 72.4
7 (CH) 127.7
8 (C) 135.6
9 (CH) 72
10 (CH2) 46.3
11 (CH) 36.7
12 (CH3) 17.3
13 (CH3) 18.2
14 (CH3) 23.5
15 (CH3) 18.7
1' (C) 166.4
2' (C) 121.7
3' (CH) 131.9
4' (CH) 115.3
5' (C) 161
6' (CH) 115.3
7' (CH) 131.9
9a (C) 170.2
9b (CH3) 21