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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C22H25ClO7/c1-12-17(6-4-5-16(25)10-23)22(13(2)20(19(12)26)29-14(3)24)9-18(30-21(22)27)15-7-8-28-11-15/h7-8,11,13,17-18,20H,1,4-6,9-10H2,2-3H3/t13-,17+,18+,20+,22-/m1/s1

InChIKey: InChIKey=JSDFGPIGXHGTTR-XQJOJBBSSA-N

Formula: C22H27N1O7

Molecular Weight: 417.453168

Exact Mass: 417.178752

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) 22.2
2 (CH2) 29
3 (CH2) 39.1
4 (C) 202.1
5 (C) 143
6 (C) 194.2
7 (CH) 75.5
8 (CH) 41.7
9 (C) 49.3
10 (CH) 45.9
11 (CH2) 44.2
12 (CH) 71
13 (C) 124.4
14 (CH) 108
15 (CH) 144.3
16 (CH) 139.5
17 (CH3) 11.8
18 (CH2) 48
19 (CH2) 124
20 (C) 174.9
7a (C) 170
7b (CH3) 20.6