(1R,4S,5R,6R,8R,10R,11R)-2-Acetoxy-4,5-dimethyl-3-oxo-5-{2-[(3S)-2-oxotetrahydro-3-furanyl]ethyl}spiro[12-oxatricyclo[6.2.2.01,6]dodecane-10,2'-oxiran]-11-yl (2E)-2-methyl-2-butenoate

(1R,4S,5R,6R,8R,10R,11R)-2-Acetoxy-4,5-dimethyl-3-oxo-5-{2-[(3S)-2-oxotetrahydro-3-furanyl]ethyl}spiro[12-oxatricyclo[6.2.2.01,6]dodecane-10,2'-oxiran]-11-yl (2E)-2-methyl-2-butenoate

Common Name: (1R,4S,5R,6R,8R,10R,11R)-2-Acetoxy-4,5-dimethyl-3-oxo-5-{2-[(3S)-2-oxotetrahydro-3-furanyl]ethyl}spiro[12-oxatricyclo[6.2.2.01,6]dodecane-10,2'-oxiran]-11-yl (2E)-2-methyl-2-butenoate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H36O9/c1-6-14(2)22(30)36-24-27-19(11-18(35-24)12-26(27)13-33-26)25(5,9-7-17-8-10-32-23(17)31)15(3)20(29)21(27)34-16(4)28/h6,15,17-19,21,24H,7-13H2,1-5H3/b14-6+/t15-,17-,18+,19-,21+,24-,25+,26+,27+/m1/s1

InChIKey: InChIKey=XPNLIYQPQIVGHM-AXJLXVQPSA-N

Formula: C27H36O9

Molecular Weight: 504.570381

Exact Mass: 504.235933

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rodriguez, B., de la Torre, M.C., Simmonds, M.S., Blaney, W.M. J Nat Prod (1999) 62, 594-600

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) 28
2 (CH) 66.9
3 (CH2) 36.4
4 (C) 60.6
5 (C) 44
6 (CH) 72.8
7 (C) 203.8
8 (CH) 48.7
9 (C) 45.8
10 (CH) 40.8
11 (CH2) 34.4
12 (CH2) 23.4
13 (CH) 39
14 (CH2) 26.8
15 (CH2) 66.4
16 (C) 178.7
17 (CH3) 7.6
18 (CH2) 49.8
19 (CH) 91.3
20 (CH3) 17.7
6a (C) 169.5
6b (CH3) 20.3
19a (C) 165.7
19b (C) 128.7
19c (CH) 138.5
19d (CH3) 14.5
19ba (CH3) 11.8