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)
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 |