Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H28O8/c1-12-5-6-17(28-15(4)25)13(2)10-19-20(14(3)21(26)29-19)18(9-12)30-22(27)16(11-24)7-8-23/h5,7,10,17-20,23-24H,3,6,8-9,11H2,1-2,4H3/b12-5+,13-10-,16-7-/t17-,18+,19+,20+/m0/s1

InChIKey: InChIKey=XYPJAWWDSQFSQA-VMCYIVQPSA-N

Formula: C22H28O8

Molecular Weight: 420.45377

Exact Mass: 420.178418

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Pacciaroni, A.D., Sosa, V.E., Espinar, L.A., Oberti, J.C. Phytochemistry (1995) 39, 127-31

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) 125.2
2 (CH2) 29.4
3 (CH) 77.9
4 (C) 137.2
5 (CH) 126.5
6 (CH) 76
7 (CH) 48.5
8 (CH) 76.4
9 (CH2) 43.4
10 (C) 137.1
11 (C) 135.5
12 (C) 165.6
13 (CH2) 125.2
14 (CH3) 19.4
15 (CH3) 23.1
3a (C) 172.5
3b (CH3) 21.2
8a (C) 169.8
8b (C) 131.2
8c (CH) 145.6
8d (CH2) 56.7
8ba (CH2) 59