Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H28O6/c1-7-13(3)21(24)27-18-10-12(2)8-9-17(26-16(6)23)14(4)11-19-20(18)15(5)22(25)28-19/h7,10-11,17-20H,5,8-9H2,1-4,6H3/b12-10+,13-7+,14-11-/t17-,18-,19+,20+/m1/s1

InChIKey: InChIKey=VTBMRZQYAGTEBA-DVOLJVRGSA-N

Formula: C22H28O6

Molecular Weight: 388.45496

Exact Mass: 388.188589

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Triana, J., Eiroa, J.L., Ortega, J.J., Leon, F., Brouard, I., Torres, F., Quintana, J., Estevez, F., Bermejo, J. J Nat Prod (2008) 71, 2015-20

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) 68
2 (CH2) 24.5
3 (CH2) 34.8
4 (C) 138
5 (CH) 132
6 (CH) 72.7
7 (CH) 49.2
8 (CH) 74.2
9 (CH) 128
10 (C) 137
11 (C) 138
12 (C) 169.5
13 (CH2) 122.5
14 (CH3) 17.3
15 (CH3) 15.3
1a (C) 168
1b (CH3) 20.9
6a (C) 162
6b (C) 140
6c (CH) 128.2
6d (CH3) 14.3
6ba (CH3) 11.8