(9S*,10R*)-9,10,11-5í-Tetrabydroxyumbelliprenin

(9S*,10R*)-9,10,11-5í-Tetrabydroxyumbelliprenin

Common Name: (9S*,10R*)-9,10,11-5í-Tetrabydroxyumbelliprenin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H32O7/c1-15(6-5-7-16(2)12-20(26)23(28)24(3,4)29)10-11-30-17-13-19(25)18-8-9-22(27)31-21(18)14-17/h7-10,13-14,20,23,25-26,28-29H,5-6,11-12H2,1-4H3/b15-10+,16-7+/t20-,23-/m0/s1

InChIKey: InChIKey=LNNLNNPONQFENF-MQKQJRQNSA-N

Formula: C24H32O7

Molecular Weight: 432.5076

Exact Mass: 432.214803

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Appendino, G., Zen, H., Nano, G.M., Cisero, M. Phytochemistry (1992) 31, 4223-6

Species:

Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Farnesanes; 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) 65.2
2 (CH) 119.4
3 (C) 141.3
4 (CH2) 38.9
5 (CH2) 25.4
6 (CH) 128.2
7 (C) 131.5
8 (CH2) 44.6
9 (CH) 68.1
10 (CH) 76.5
11 (C) 74.4
12 (CH3) 26.3
13 (CH3) 26.9
14 (CH3) 16
15 (CH3) 16.3
2' (C) 162.7
3' (CH) 110.1
4' (CH) 139.7
5' (C) 154.9
6' (CH) 93.7
7' (C) 162.5
8' (CH) 98.9
9' (C) 156.6
10' (C) 103.6