(1R,8abeta)-2alpha-Methyl-4alpha-acetoxy-4aalpha-(acetoxymethyl)-5-(chloromethylene)-4',5'-dihydro-5'alpha-(3-furyl)spiro[decalin-1,3'(2'H)-furan]2'-one

(1R,8abeta)-2alpha-Methyl-4alpha-acetoxy-4aalpha-(acetoxymethyl)-5-(chloromethylene)-4',5'-dihydro-5'alpha-(3-furyl)spiro[decalin-1,3'(2'H)-furan]2'-one

Common Name: (1R,8abeta)-2alpha-Methyl-4alpha-acetoxy-4aalpha-(acetoxymethyl)-5-(chloromethylene)-4',5'-dihydro-5'alpha-(3-furyl)spiro[decalin-1,3'(2'H)-furan]2'-one

Synonyms: (1R,8abeta)-2alpha-Methyl-4alpha-acetoxy-4aalpha-(acetoxymethyl)-5-(chloromethylene)-4',5'-dihydro-5'alpha-(3-furyl)spiro[decalin-1,3'(2'H)-furan]2'-one

CAS Registry Number:

InChI: InChI=1S/C24H29ClO7/c1-14-9-21(31-16(3)27)24(13-30-15(2)26)18(11-25)5-4-6-20(24)23(14)10-19(32-22(23)28)17-7-8-29-12-17/h7-8,11-12,14,19-21H,4-6,9-10,13H2,1-3H3/b18-11+/t14-,19-,20-,21+,23-,24+/m1/s1

InChIKey: InChIKey=UZSATNSHVVHGQP-PJNNULOQSA-N

Formula: C25H32O7

Molecular Weight: 444.518336

Exact Mass: 444.214803

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Rodriguez, B., Delatorre, M.C., Simmonds, M.S.J., Blaney, W.M., Boneva, I.M. Phytochemistry (1994) 37, 147-57

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) 22.6
2 (CH2) 25.5
3 (CH2) 26.1
4 (C) 143.5
5 (C) 49.4
6 (CH) 74.5
7 (CH2) 32.1
8 (CH) 40.3
9 (C) 51.7
10 (CH) 52.3
11 (CH2) 43.2
12 (CH) 71.4
13 (C) 125.3
14 (CH) 107.7
15 (CH) 144.1
16 (CH) 139.1
17 (CH3) 16.7
18 (CH) 110.7
19 (CH2) 61.1
20 (C) 175.9
6a (C) 170.3
6b (CH3) 21.1
18a (CH3) 77
19a (C) 170.2
19b (CH3) 21.1