Spektraris NMR
[(2'S,3S,3'S,4'R,4a'R,5S,5'R,8a'S)-3'-Acetoxy-5'-(chloromethyl)-5-(3-furyl)-4',5'-dihydroxy-2'-methyl-2-oxooctahydro-2'H-spiro[furan-3,1'-naphthalen]-4a'(5'H)-yl]methyl acetate
![[(2'S,3S,3'S,4'R,4a'R,5S,5'R,8a'S)-3'-Acetoxy-5'-(chloromethyl)-5-(3-furyl)-4',5'-dihydroxy-2'-methyl-2-oxooctahydro-2'H-spiro[furan-3,1'-naphthalen]-4a'(5'H)-yl]methyl acetate](/nmr/static/nmr/svg/1589.svg)
Common Name: [(2'S,3S,3'S,4'R,4a'R,5S,5'R,8a'S)-3'-Acetoxy-5'-(chloromethyl)-5-(3-furyl)-4',5'-dihydroxy-2'-methyl-2-oxooctahydro-2'H-spiro[furan-3,1'-naphthalen]-4a'(5'H)-yl]methyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H31ClO9/c1-13-19(33-15(3)27)20(28)24(12-32-14(2)26)18(5-4-7-22(24,30)11-25)23(13)9-17(34-21(23)29)16-6-8-31-10-16/h6,8,10,13,17-20,28,30H,4-5,7,9,11-12H2,1-3H3/t13-,17+,18-,19+,20+,22+,23-,24+/m1/s1
InChIKey: InChIKey=SEDZEPIOCMRXBS-ZYVKJICXSA-N
Formula: C24H33N1O9
Molecular Weight: 479.521094
Exact Mass: 479.215532
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)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 22.5 |
| 2 (CH2) | 22.9 |
| 3 (CH2) | 29.8 |
| 4 (C) | 77.5 |
| 5 (C) | 47.7 |
| 6 (CH) | 75.9 |
| 7 (CH) | 74.4 |
| 8 (CH) | 41.7 |
| 9 (C) | 51.9 |
| 10 (CH) | 51.6 |
| 11 (CH2) | 47.4 |
| 12 (CH) | 71.1 |
| 13 (C) | 125.1 |
| 14 (CH) | 107.8 |
| 15 (CH) | 144.3 |
| 16 (CH) | 139.4 |
| 17 (CH3) | 12.5 |
| 18 (CH2) | 49.6 |
| 19 (CH2) | 63.2 |
| 20 (C) | 174.5 |
| 7a (C) | 172.7 |
| 7b (CH3) | 21.3 |
| 19a (C) | 169.8 |
| 19b (CH3) | 20.9 |
