(3aR,4S,6aR,8S,9R,9aS,9bS)-8-{[(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-3,6-bis(methylene)-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2R)-2-methyl-2-oxiranecarboxy late

(3aR,4S,6aR,8S,9R,9aS,9bS)-8-{[(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-3,6-bis(methylene)-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2R)-2-methyl-2-oxiranecarboxy late

Common Name: (3aR,4S,6aR,8S,9R,9aS,9bS)-8-{[(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-3,6-bis(methylene)-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2R)-2-methyl-2-oxiranecarboxy late

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H35NO10/c1-18-14-23(44-33(41)34(3)16-42-34)25-19(2)31(39)46-29(25)26-22(18)15-24(35(26)17-43-35)45-32(40)28(37)27(20-10-6-4-7-11-20)36-30(38)21-12-8-5-9-13-21/h4-13,22-29,37H,1-2,14-17H2,3H3,(H,36,38)/t22-,23-,24-,25+,26-,27-,28+,29-,34+,35+/m0/s1

InChIKey: InChIKey=ABXHFMLAKQYQPM-DBDLIVAASA-N

Formula: C35H35N1O10

Molecular Weight: 629.654475

Exact Mass: 629.226096

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) 46.73
2 (CH2) 34.57
3 (CH) 81.9
4 (C) 66.04
5 (CH) 53.92
6 (CH) 75.06
7 (CH) 49
8 (CH) 75.6
9 (CH2) 36.33
10 (C) 140.27
11 (C) 137.31
12 (C) 168.55
13 (CH2) 122.24
14 (CH2) 119.61
15 (CH2) 48.35
3a (C) 169.4
3b (CH) 73.07
3c (CH) 55.14
3d (C) 172.17
3ca (C) 138.21
3cb (CH) 128.92
3cc (CH) 128.83
3cd (CH) 132.21
3ce (CH) 128.83
3cf (CH) 128.92
3da (C) 133.18
3db (CH) 127.17
3dc (CH) 126.99
3dd (CH) 128.06
3de (CH) 126.99
3df (CH) 127.17
8a (C) 167.05
8b (C) 53.92
8c (CH2) 52.72
8d (CH3) 17.44