Spektraris NMR
(3S,5S,6S,7S,9R,10S)-10-(5-Chloro-4-hydroxypentyl)-3-(3-furyl)-6,9-dimethyl-1,8-dioxo-2-oxaspiro[4.5]dec-7-yl acetate
![(3S,5S,6S,7S,9R,10S)-10-(5-Chloro-4-hydroxypentyl)-3-(3-furyl)-6,9-dimethyl-1,8-dioxo-2-oxaspiro[4.5]dec-7-yl acetate](/nmr/static/nmr/svg/1587.svg)
Common Name: (3S,5S,6S,7S,9R,10S)-10-(5-Chloro-4-hydroxypentyl)-3-(3-furyl)-6,9-dimethyl-1,8-dioxo-2-oxaspiro[4.5]dec-7-yl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H29ClO7/c1-12-17(6-4-5-16(25)10-23)22(13(2)20(19(12)26)29-14(3)24)9-18(30-21(22)27)15-7-8-28-11-15/h7-8,11-13,16-18,20,25H,4-6,9-10H2,1-3H3/t12-,13-,16?,17+,18+,20+,22-/m1/s1
InChIKey: InChIKey=ZLECURSQLSDQTM-JBAWZGISSA-N
Formula: C22H31N1O7
Molecular Weight: 421.484931
Exact Mass: 421.210052
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) | 25.4 |
| 2 (CH2) | 28.1 |
| 3 (CH2) | 33.6 |
| 4 (CH) | 70.7 |
| 5 (CH) | 44.4 |
| 6 (C) | 203.6 |
| 7 (CH) | 76.7 |
| 8 (CH) | 45.7 |
| 9 (C) | 50 |
| 10 (CH) | 47.3 |
| 11 (CH2) | 44.6 |
| 12 (CH) | 70.5 |
| 13 (C) | 123.4 |
| 14 (CH) | 108.3 |
| 15 (CH) | 144.3 |
| 16 (CH) | 140.3 |
| 17 (CH3) | 10.5 |
| 18 (CH2) | 50.4 |
| 19 (CH3) | 11.1 |
| 20 (C) | 175.7 |
| 7a (C) | 170.3 |
| 7b (CH3) | 20.6 |
