4-Hydroxy-3-methoxybenzenepropionic acid [(1R,2S,4S,5R,6E,10S)-4-acetoxy-2-hydroxy-3-methylene-7,11,11-trimethylbicyclo[8.1.0]undec-6-en-5-yl] ester

4-Hydroxy-3-methoxybenzenepropionic acid [(1R,2S,4S,5R,6E,10S)-4-acetoxy-2-hydroxy-3-methylene-7,11,11-trimethylbicyclo[8.1.0]undec-6-en-5-yl] ester

Common Name: 4-Hydroxy-3-methoxybenzenepropionic acid [(1R,2S,4S,5R,6E,10S)-4-acetoxy-2-hydroxy-3-methylene-7,11,11-trimethylbicyclo[8.1.0]undec-6-en-5-yl] ester

Synonyms: 4-Hydroxy-3-methoxybenzenepropionic acid [(1R,2S,4S,5R,6E,10S)-4-acetoxy-2-hydroxy-3-methylene-7,11,11-trimethylbicyclo[8.1.0]undec-6-en-5-yl] ester

CAS Registry Number:

InChI: InChI=1S/C27H36O7/c1-15-7-10-19-24(27(19,4)5)25(31)16(2)26(33-17(3)28)22(13-15)34-23(30)12-9-18-8-11-20(29)21(14-18)32-6/h8,11,13-14,19,22,24-26,29,31H,2,7,9-10,12H2,1,3-6H3/b15-13+/t19-,22+,24-,25+,26-/m0/s1

InChIKey: InChIKey=JYVILVWNPBLPON-ZEWCIWHESA-N

Formula: C27H36O7

Molecular Weight: 472.571571

Exact Mass: 472.246104

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Valcic, S., Zapp, J., Becker, H. Phytochemistry (1997) 44, 89-99

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bicyclogermacranes; 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) 117.1
2 (CH) 72.5
3 (CH) 77.7
4 (C) 145.3
5 (CH) 78.7
6 (CH) 29.3
7 (CH) 29.2
8 (CH2) 27.4
9 (CH2) 36.7
10 (C) 143.8
11 (C) 18.6
12 (CH3) 28.9
13 (CH3) 15.9
14 (CH3) 21.6
15 (CH2) 119.3
1' (C) 132.4
2' (CH) 111
3' (C) 146.5
4' (C) 144.1
5' (CH) 114.4
6' (CH) 120.9
7' (CH2) 30.7
8' (CH2) 36.3
9' (C) 172.1
3a (C) 172.1
3b (CH3) 21.1
3'a (CH3) 55.9