Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H24O9/c1-3-5-17(25)30-20-18-12(2)21(27)29-15(18)8-13(10-28-11-16(23)24)6-4-7-14(9-22)19(20)26/h3,5,7-9,15,18-20,26H,2,4,6,10-11H2,1H3,(H,23,24)/b5-3+,13-8-,14-7-/t15-,18+,19-,20+/m1/s1

InChIKey: InChIKey=RBLCZFMNRYWILE-AATJUDMSSA-N

Formula: C21H24O9

Molecular Weight: 420.410676

Exact Mass: 420.142032

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Castro, V., Rungeler, P., Murillo, R., Hernandez, E., Mora, G., Pahl, H.L., Merfort, I. Phytochemistry (2000) 53, 257-63

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)

Carbon NMR Peaks

Position PPM
1 (CH) 154.5
2 (CH2) 27.2
3 (CH2) 33.1
4 (C) 135.8
5 (CH) 131.7
6 (CH) 73.6
7 (CH) 51.4
8 (CH) 72.1
9 (CH) 70.4
10 (C) 144.5
11 (C) 135.3
12 (C) 168.7
13 (CH2) 122
14 (CH) 195.3
15 (CH2) 61.3
8a (C) 167.1
8b (CH) 133.8
8c (CH) 127
8d (CH3) 18.3
15a (CH2) 170.4
15b (C) 20.7