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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O8/c1-11-16(24)17(29-12(2)23)22-15(8-14(30-19(22)26)9-21(22)10-28-21)20(11,3)6-4-13-5-7-27-18(13)25/h11,13-17,24H,4-10H2,1-3H3/t11-,13+,14-,15-,16-,17+,20+,21+,22+/m1/s1

InChIKey: InChIKey=PZZLMRJHVQMYMR-SHQYQSDASA-N

Formula: C22H30O8

Molecular Weight: 422.469652

Exact Mass: 422.194068

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rodriguez, B., DelaTorre, M.C., GomezSerranillos, P. Phytochemistry (1996) 41, 247-53

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) 27.4
2 (CH) 70.3
3 (CH2) 36.6
4 (C) 61.4
5 (C) 47.6
6 (CH) 72.6
7 (CH) 71.9
8 (CH) 41.2
9 (C) 40.2
10 (CH) 41.9
11 (CH2) 34
12 (CH2) 22
13 (CH) 39
14 (CH2) 26.7
15 (CH2) 66.4
16 (C) 178.9
17 (CH3) 14
18 (CH2) 50.3
19 (C) 175.2
20 (CH3) 15.8
6a (C) 171.5
6b (CH3) 21.3