(3aR,4S,6aR,8S,9R,9aS,9bS)-3,6-Bis(methylene)-4-({[(2R)-2-methyl-2-oxiranyl]carbonyl}oxy)-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-8-yl (4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-c arboxylate

(3aR,4S,6aR,8S,9R,9aS,9bS)-3,6-Bis(methylene)-4-({[(2R)-2-methyl-2-oxiranyl]carbonyl}oxy)-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-8-yl (4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-c arboxylate

Common Name: (3aR,4S,6aR,8S,9R,9aS,9bS)-3,6-Bis(methylene)-4-({[(2R)-2-methyl-2-oxiranyl]carbonyl}oxy)-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-8-yl (4S,5R)-2,4-diphenyl-4,5-dihydro-1,3-oxazole-5-c arboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H33NO9/c1-18-14-23(42-33(39)34(3)16-40-34)25-19(2)31(37)45-28(25)26-22(18)15-24(35(26)17-41-35)43-32(38)29-27(20-10-6-4-7-11-20)36-30(44-29)21-12-8-5-9-13-21/h4-13,22-29H,1-2,14-17H2,3H3/t22-,23-,24-,25+,26-,27-,28-,29+,34+,35+/m0/s1

InChIKey: InChIKey=RZUWXOSJGMYVEG-BFVXQGQVSA-N

Formula: C35H33N1O9

Molecular Weight: 611.639189

Exact Mass: 611.215532

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bruno, M., Rosselli, S., Maggio, A., Raccuglia, R.A., Bastow, K.F., Lee, K.H. J Nat Prod (2005) 68, 1042-6

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) 45.71
2 (CH2) 35.19
3 (CH) 79.64
4 (C) 66.16
5 (CH) 53.74
6 (CH) 75.4
7 (CH) 49.38
8 (CH) 74.94
9 (CH2) 35.93
10 (C) 140.43
11 (C) 136.6
12 (C) 167.92
13 (CH2) 121.87
14 (CH2) 119.28
15 (CH2) 48.06
3a (C) 169.6
3b (CH) 82.82
3c (C) 163.42
3d (CH) 74.55
3ca (C) 139.85
3cb (CH) 128.89
3cc (CH) 128.72
3cd (CH) 132.27
3ce (CH) 128.72
3cf (CH) 128.89
3da (C) 126.9
3db (CH) 128.4
3dc (CH) 126.41
3dd (CH) 128.23
3de (CH) 126.41
3df (CH) 128.4
8a (C) 169.07
8b (C) 53.62
8c (CH2) 52.73
8d (CH3) 17.25