4-Acetoxy-2-(hydroxymethyl)-2-butenoic acid [(3aR,3abeta,4S,9abeta,9balpha)-2-oxo-3-methylene-5aalpha-methyl-6alpha-hydroxy-9alpha-formyldodecahydronaphtho[1,2-b]furan]-4beta-yl ester

4-Acetoxy-2-(hydroxymethyl)-2-butenoic acid [(3aR,3abeta,4S,9abeta,9balpha)-2-oxo-3-methylene-5aalpha-methyl-6alpha-hydroxy-9alpha-formyldodecahydronaphtho[1,2-b]furan]-4beta-yl ester

Common Name: 4-Acetoxy-2-(hydroxymethyl)-2-butenoic acid [(3aR,3abeta,4S,9abeta,9balpha)-2-oxo-3-methylene-5aalpha-methyl-6alpha-hydroxy-9alpha-formyldodecahydronaphtho[1,2-b]furan]-4beta-yl ester

Synonyms: 4-Acetoxy-2-(hydroxymethyl)-2-butenoic acid [(3aR,3abeta,4S,9abeta,9balpha)-2-oxo-3-methylene-5aalpha-methyl-6alpha-hydroxy-9alpha-formyldodecahydronaphtho[1,2-b]furan]-4beta-yl ester

CAS Registry Number:

InChI: InChI=1S/C22H28O9/c1-11-17-15(30-21(28)14(10-24)6-7-29-12(2)25)8-22(3)16(26)5-4-13(9-23)18(22)19(17)31-20(11)27/h6,9,13,15-19,24,26H,1,4-5,7-8,10H2,2-3H3/b14-6+/t13-,15+,16-,17-,18-,19+,22+/m1/s1

InChIKey: InChIKey=MBXJTNWCNHRTMO-AVNDKTAWSA-N

Formula: C22H28O9

Molecular Weight: 436.453175

Exact Mass: 436.173332

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Saroglou, V., Karioti, A., Demetzos, C., Dimas, K., Skaltsa, H. J Nat Prod (2005) 68, 1404-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 77.8
2 (CH2) 27.8
3 (CH2) 23.1
4 (CH) 46
5 (CH) 48.4
6 (CH) 76.1
7 (CH) 54
8 (CH) 70.5
9 (CH2) 44.2
10 (C) 41.9
11 (C) 136.6
12 (C) 169.6
13 (CH2) 121.2
14 (CH3) 15.6
15 (CH) 211
8a (C) 165.1
8b (C) 130.6
8c (CH) 138.6
8d (CH2) 63.3
8e (CH2) 62.5
9a (C) 171.5
9b (CH3) 20.5