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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O8/c1-11-16(29-12(2)23)17(24)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/h11,13-17,19,24,26H,4-10H2,1-3H3/t11-,13+,14-,15-,16-,17+,19+,20+,21+,22+/m1/s1

InChIKey: InChIKey=OEJINYZEVCGYAK-NUTXIKHPSA-N

Formula: C22H32O8

Molecular Weight: 424.485533

Exact Mass: 424.209718

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) 28.3
2 (CH) 66.8
3 (CH2) 36.6
4 (C) 61.8
5 (C) 43.4
6 (CH) 74.3
7 (CH) 72.1
8 (CH) 39.3
9 (C) 39.8
10 (CH) 39.6
11 (CH2) 35.1
12 (CH2) 23.5
13 (CH) 39.5
14 (CH2) 26.8
15 (CH2) 66.4
16 (C) 179
17 (CH3) 10.5
18 (CH2) 50
19 (CH) 93.6
20 (CH3) 18.1
7a (C) 171
7b (CH3) 20.9