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

CAS Registry Number:

InChI: InChI=1S/C20H26O6/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/h8,11-16,23H,1,6-7H2,2-5H3/t11-,12-,13+,14+,15-,16-,19-,20+/m1/s1

InChIKey: InChIKey=SBZMGZYHKNGAQP-AFXNQAGISA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

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) 131.1
2 (CH2) 25.2
3 (CH2) 34.9
4 (C) 143.3
5 (CH) 55.4
6 (CH) 81.6
7 (CH) 45
8 (CH) 78.9
9 (C) 81.5
10 (C) 136.7
11 (CH) 36
12 (CH3) 13.5
13 (C) 179.1
14 (CH3) 20.6
15 (CH2) 113
8a (C) 169
8b (C) 59.3
8c (CH) 60.6
8d (CH3) 13.7
8e (CH3) 19.3