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)
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 |