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

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

CAS Registry Number:

InChI: InChI=1S/C24H31ClO8/c1-14-9-20(32-16(3)27)24(13-31-15(2)26)19(5-4-7-22(24,29)12-25)23(14)10-18(33-21(23)28)17-6-8-30-11-17/h6,8,11,14,18-20,29H,4-5,7,9-10,12-13H2,1-3H3/t14-,18-,19-,20+,22+,23-,24+/m1/s1

InChIKey: InChIKey=YHIKOMPTWAPXRQ-AUBWASTASA-N

Formula: C25H34O8

Molecular Weight: 462.533622

Exact Mass: 462.225368

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) 22.5
2 (CH2) 22.3
3 (CH2) 31.7
4 (C) 76.9
5 (C) 48.3
6 (CH) 74.3
7 (CH2) 32.9
8 (CH) 41.2
9 (C) 52.1
10 (CH) 49.1
11 (CH2) 44.9
12 (CH) 71.3
13 (C) 125.3
14 (CH) 107.9
15 (CH) 144.2
16 (CH) 139.1
17 (CH3) 16.7
18 (CH2) 49.2
19 (CH2) 63.4
20 (C) 175.8
6a (C) 170
6b (CH3) 21.5
18a (CH3) 77
19a (C) 169.7
19b (CH3) 21.3