Spektraris NMR
Decipienolide A
Common Name: Decipienolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O6/c1-11-8-21(27-17(11)23)9-20(10-25-21)14-6-15(20)12(2)16(7-14)26-18(24)19(4,5)13(3)22/h11,13-16,22H,2,6-10H2,1,3-5H3/t11-,13?,14+,15-,16-,20?,21-/m0/s1
InChIKey: InChIKey=ZRQVIGLTTXPLCI-FBKHYGPNSA-N
Formula: C21H30O6
Molecular Weight: 378.460106
Exact Mass: 378.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Che, Y., Gloer, J.B., Koster, B., Malloch, D. J Nat Prod (2002) 65, 916-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (C) | 178.6 |
| 2 (CH) | 34.7 |
| 3 (CH2) | 39.8 |
| 4 (C) | 113.7 |
| 5 (CH2) | 47 |
| 6 (C) | 50.6 |
| 7 (CH) | 39.9 |
| 8 (CH2) | 29.4 |
| 9 (CH) | 51.6 |
| 10 (C) | 147.9 |
| 11 (CH) | 67.6 |
| 12 (CH2) | 32.7 |
| 13 (CH3) | 14.9 |
| 14 (CH2) | 71.3 |
| 15 (CH2) | 115.4 |
| 11a (C) | 176.7 |
| 11b (C) | 46.6 |
| 11c (CH) | 72.2 |
| 11d (CH3) | 17.4 |
| 11ba (CH3) | 21.9 |
| 11bb (CH3) | 19.4 |
