1β-O-E-cinnamoyl-6α-hydroxy-9-epi-polygodial

1β-O-E-cinnamoyl-6α-hydroxy-9-epi-polygodial

Common Name: 1β-O-E-cinnamoyl-6α-hydroxy-9-epi-polygodial

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H28O5/c1-23(2)12-11-20(29-21(28)10-9-16-7-5-4-6-8-16)24(3)18(15-26)17(14-25)13-19(27)22(23)24/h4-10,13-15,18-20,22,27H,11-12H2,1-3H3/b10-9+/t18-,19+,20-,22+,24+/m1/s1

InChIKey: InChIKey=RJMZKVMAXFDSJD-UPCCYMMLSA-N

Formula: C24H28O5

Molecular Weight: 396.477027

Exact Mass: 396.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Allouche, N., Apel, C., Martin, M.T., Dumontet, V., Gueritte, F., Litaudon, M. Phytochemistry (2009) 70, 546-53

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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) 76.3
2 (CH2) 24
3 (CH2) 40
4 (C) 33.1
5 (CH) 51.2
6 (CH) 67.9
7 (CH) 152.4
8 (C) 137
9 (CH) 54
10 (C) 44.3
11 (CH) 201.6
12 (CH) 192.6
13 (CH3) 34.8
14 (CH3) 22.5
15 (CH3) 17.2
1' (C) 166.2
2' (CH) 117.7
3' (CH) 145.7
4' (C) 134.1
5' (CH) 128.2
6' (CH) 128.9
7' (CH) 130.5
8' (CH) 128.9
9' (CH) 128.2