(2S,3S,5S)-2,3'alpha-Diacetoxy-5-(3-furyl)-4,5-dihydro-2'alpha-methyl-5'-methylene-6'alpha-(4-oxo-5-chloropentyl)spiro[furan-3(2H),1'-cyclohexan]-4'-one

(2S,3S,5S)-2,3'alpha-Diacetoxy-5-(3-furyl)-4,5-dihydro-2'alpha-methyl-5'-methylene-6'alpha-(4-oxo-5-chloropentyl)spiro[furan-3(2H),1'-cyclohexan]-4'-one

Common Name: (2S,3S,5S)-2,3'alpha-Diacetoxy-5-(3-furyl)-4,5-dihydro-2'alpha-methyl-5'-methylene-6'alpha-(4-oxo-5-chloropentyl)spiro[furan-3(2H),1'-cyclohexan]-4'-one

Synonyms: (2S,3S,5S)-2,3'alpha-Diacetoxy-5-(3-furyl)-4,5-dihydro-2'alpha-methyl-5'-methylene-6'alpha-(4-oxo-5-chloropentyl)spiro[furan-3(2H),1'-cyclohexan]-4'-one

CAS Registry Number:

InChI: InChI=1S/C24H29ClO8/c1-13-19(7-5-6-18(28)11-25)24(14(2)22(21(13)29)31-15(3)26)10-20(17-8-9-30-12-17)33-23(24)32-16(4)27/h8-9,12,14,19-20,22-23H,1,5-7,10-11H2,2-4H3/t14-,19+,20+,22+,23-,24-/m1/s1

InChIKey: InChIKey=UOAVUXOMJLLEDS-REUAILOMSA-N

Formula: C24H31N1O8

Molecular Weight: 461.505807

Exact Mass: 461.204967

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mossner, E., delaTorre, M.C., Rodriguez, B. J Nat Prod (1996) 59, 367-73

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) 22.3
2 (CH2) 30.7
3 (CH2) 39
4 (C) 202
5 (C) 146.1
6 (C) 197.2
7 (CH) 77.1
8 (CH) 40.2
9 (C) 53.8
10 (CH) 48.7
11 (CH2) 42.9
12 (CH) 74.1
13 (C) 126.5
14 (CH) 108.6
15 (CH) 143.7
16 (CH) 139.7
17 (CH3) 13.6
18 (CH2) 48
19 (CH2) 123.1
20 (CH) 97.9
7a (C) 169.9
7b (CH3) 21.2
20a (C) 169.8
20b (CH3) 20.6