(2R,3R)-2,3-Dimethyloxirane-2-carboxylic acid [(3aS)-4abeta-hydroxy-2-oxo-6beta-methoxy-9-methylene-3alpha,5beta-dimethyl-2,3,3abeta,4,4a,5,6,7,8,9,9aalpha,9bbeta-dodecahydroazuleno[1,2-b]furan]-4beta-yl ester

(2R,3R)-2,3-Dimethyloxirane-2-carboxylic acid [(3aS)-4abeta-hydroxy-2-oxo-6beta-methoxy-9-methylene-3alpha,5beta-dimethyl-2,3,3abeta,4,4a,5,6,7,8,9,9aalpha,9bbeta-dodecahydroazuleno[1,2-b]furan]-4beta-yl ester

Common Name: (2R,3R)-2,3-Dimethyloxirane-2-carboxylic acid [(3aS)-4abeta-hydroxy-2-oxo-6beta-methoxy-9-methylene-3alpha,5beta-dimethyl-2,3,3abeta,4,4a,5,6,7,8,9,9aalpha,9bbeta-dodecahydroazuleno[1,2-b]furan]-4beta-yl ester

Synonyms: (2R,3R)-2,3-Dimethyloxirane-2-carboxylic acid [(3aS)-4abeta-hydroxy-2-oxo-6beta-methoxy-9-methylene-3alpha,5beta-dimethyl-2,3,3abeta,4,4a,5,6,7,8,9,9aalpha,9bbeta-dodecahydroazuleno[1,2-b]furan]-4beta-yl ester

CAS Registry Number:

InChI: InChI=1S/C21H30O7/c1-9-7-8-13(25-6)11(3)21(24)15(9)16-14(10(2)18(22)26-16)17(21)27-19(23)20(5)12(4)28-20/h10-17,24H,1,7-8H2,2-6H3/t10-,11+,12-,13+,14+,15+,16-,17-,20-,21+/m1/s1

InChIKey: InChIKey=SPEMCSKGICNUDT-NGBGBTQPSA-N

Formula: C21H30O7

Molecular Weight: 394.459511

Exact Mass: 394.199153

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) 85.6
2 (CH2) 26.7
3 (CH2) 31
4 (C) 143
5 (CH) 56.7
6 (CH) 82.5
7 (CH) 45.8
8 (CH) 79.8
9 (C) 81.6
10 (CH) 46.4
11 (CH) 36.6
12 (CH3) 11.7
13 (C) 178.3
14 (CH3) 14.4
15 (CH2) 113.2
8a (C) 169.2
8b (C) 59.2
8c (CH) 61
8d (CH3) 13.7
8e (CH3) 19.4
9a (CH3) 57.6