Common Name: (2S,3S,5S)-2,3'alpha-Diacetoxy-5-(3-furyl)-4,5-dihydro-2'alpha-methyl-5'-methylene-6'alpha-(4-oxo-5-chloropentyl)spiro[furan-3(2H),1'-cyclohexan]-4'-one
Synonyms: (2S,3S,5S)-2,3'alpha-Diacetoxy-5-(3-furyl)-4,5-dihydro-2'alpha-methyl-5'-methylene-6'alpha-(4-oxo-5-chloropentyl)spiro[furan-3(2H),1'-cyclohexan]-4'-one
CAS Registry Number:
InChI: InChI=1S/C24H29ClO8/c1-13-19(7-5-6-18(28)11-25)24(14(2)22(21(13)29)31-15(3)26)10-20(17-8-9-30-12-17)33-23(24)32-16(4)27/h8-9,12,14,19-20,22-23H,1,5-7,10-11H2,2-4H3/t14-,19+,20+,22+,23-,24-/m1/s1
InChIKey: InChIKey=UOAVUXOMJLLEDS-REUAILOMSA-N
Formula: C24H31N1O8
Molecular Weight: 461.505807
Exact Mass: 461.204967
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)
Position | PPM |
---|---|
1 (CH2) | 22.3 |
2 (CH2) | 30.7 |
3 (CH2) | 39 |
4 (C) | 202 |
5 (C) | 146.1 |
6 (C) | 197.2 |
7 (CH) | 77.1 |
8 (CH) | 40.2 |
9 (C) | 53.8 |
10 (CH) | 48.7 |
11 (CH2) | 42.9 |
12 (CH) | 74.1 |
13 (C) | 126.5 |
14 (CH) | 108.6 |
15 (CH) | 143.7 |
16 (CH) | 139.7 |
17 (CH3) | 13.6 |
18 (CH2) | 48 |
19 (CH2) | 123.1 |
20 (CH) | 97.9 |
7a (C) | 169.9 |
7b (CH3) | 21.2 |
20a (C) | 169.8 |
20b (CH3) | 20.6 |