(2R,3R)-2,3-Dimethyloxirane-2-carboxylic acid [(3aS)-4abeta-hydroxy-2-oxo-3,9-bismethylene-5-methyl-2,3,3abeta,4,4a,7,8,9,9aalpha,9bbeta-decahydroazuleno[1,2-b]furan]-4beta-yl ester

(2R,3R)-2,3-Dimethyloxirane-2-carboxylic acid [(3aS)-4abeta-hydroxy-2-oxo-3,9-bismethylene-5-methyl-2,3,3abeta,4,4a,7,8,9,9aalpha,9bbeta-decahydroazuleno[1,2-b]furan]-4beta-yl ester

Common Name: (2R,3R)-2,3-Dimethyloxirane-2-carboxylic acid [(3aS)-4abeta-hydroxy-2-oxo-3,9-bismethylene-5-methyl-2,3,3abeta,4,4a,7,8,9,9aalpha,9bbeta-decahydroazuleno[1,2-b]furan]-4beta-yl ester

Synonyms: (2R,3R)-2,3-Dimethyloxirane-2-carboxylic acid [(3aS)-4abeta-hydroxy-2-oxo-3,9-bismethylene-5-methyl-2,3,3abeta,4,4a,7,8,9,9aalpha,9bbeta-decahydroazuleno[1,2-b]furan]-4beta-yl ester

CAS Registry Number:

InChI: InChI=1S/C20H24O6/c1-9-7-6-8-10(2)20(23)14(9)15-13(11(3)17(21)24-15)16(20)25-18(22)19(5)12(4)26-19/h8,12-16,23H,1,3,6-7H2,2,4-5H3/t12-,13+,14+,15-,16-,19-,20+/m1/s1

InChIKey: InChIKey=YDLPHQOVJALSSU-ATSKHQAFSA-N

Formula: C20H24O6

Molecular Weight: 360.401726

Exact Mass: 360.157289

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Muller, S., Murillo, R., Castro, V., Brecht, V., Merfort, I. J Nat Prod (2004) 67, 622-30

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Montabibisciolides; 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) 129.5
2 (CH2) 24.4
3 (CH2) 36.1
4 (C) 140.2
5 (CH) 51
6 (CH) 81.9
7 (CH) 48.9
8 (CH) 85.8
9 (C) 85
10 (C) 135.7
11 (C) 135.6
12 (CH2) 123.9
13 (C) 169.8
14 (CH3) 20
15 (CH2) 117.1
8a (C) 168.9
8b (C) 59.2
8c (CH) 60.2
8d (CH3) 13.6
8e (CH3) 19