6-O-angeloyl-8-O-tigloyl-6β,8α,11-trihydroxygermacra-1(10)E,4E-diene

6-O-angeloyl-8-O-tigloyl-6β,8α,11-trihydroxygermacra-1(10)E,4E-diene

Common Name: 6-O-angeloyl-8-O-tigloyl-6β,8α,11-trihydroxygermacra-1(10)E,4E-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H38O5/c1-9-18(5)23(26)29-20-14-16(3)12-11-13-17(4)15-21(22(20)25(7,8)28)30-24(27)19(6)10-2/h9-10,12,15,20-22,28H,11,13-14H2,1-8H3/b16-12+,17-15+,18-9+,19-10-/t20-,21-,22+/m0/s1

InChIKey: InChIKey=WLUZYQDSHYPPAK-PCOXHAPDSA-N

Formula: C25H38O5

Molecular Weight: 418.567171

Exact Mass: 418.271924

NMR Solvent: C+C

MHz:

Calibration:

NMR references: 13C - Schmiech, L., Uemura, D., Hofmann, T. J Agric Food Chem (2008) 56, 10252-60

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) 131.7
2 (CH2) 24.8
3 (CH2) 38.5
4 (C) 135.4
5 (CH) 130.4
6 (CH) 70.4
7 (CH) 52.9
8 (CH) 75.1
9 (CH2) 40.9
10 (C) 129.7
11 (C) 73.2
12 (CH3) 29.1
13 (CH3) 30.3
14 (CH3) 20.4
15 (CH3) 16.8
6a (C) 166.8
6b (C) 127.2
6c (CH) 139.5
6d (CH3) 15.6
6ba (CH3) 20.4
8a (C) 166.3
8b (C) 128.4
8c (CH) 137.6
8d (CH3) 14.5
8ba (CH3) 12.3