8α-O-(3′-Hydroxy-3′-methylbutyryl)desacylcynaropicrin

8α-O-(3′-Hydroxy-3′-methylbutyryl)desacylcynaropicrin

Common Name: 8α-O-(3′-Hydroxy-3′-methylbutyryl)desacylcynaropicrin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-9-6-14(25-15(22)8-20(4,5)24)17-11(3)19(23)26-18(17)16-10(2)13(21)7-12(9)16/h12-14,16-18,21,24H,1-3,6-8H2,4-5H3/t12-,13-,14-,16-,17+,18+/m0/s1

InChIKey: InChIKey=FSKLYZXJGAAEQB-MGLAFYJRSA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yang, M.C., Choi, S.U., Choi, W.S., Kim, S.Y., Lee, K.R. J Nat Prod (2008) 71, 678-83

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) 45.3
2 (CH2) 39
3 (CH) 73.7
4 (C) 152.2
5 (CH) 51.3
6 (CH) 78.4
7 (CH) 47.5
8 (CH) 74.2
9 (CH2) 37.3
10 (C) 141.6
11 (C) 137.3
12 (C) 168.9
13 (CH2) 122.5
14 (CH2) 118.2
15 (CH2) 113.6
8a (C) 172
8b (CH2) 46.5
8c (C) 69.2
8d (CH3) 29.3
8ca (CH3) 29.2