Spektraris NMR
15,16-epoxy-8a-hydroxyneocleroda-2,13(16),14-triene-17,12R:18,19-diolide
Common Name: 15,16-epoxy-8a-hydroxyneocleroda-2,13(16),14-triene-17,12R:18,19-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O7/c1-18-9-13(11-5-8-25-10-11)26-17(23)20(18,24)7-6-19-12(3-2-4-14(18)19)15(21)27-16(19)22/h2-3,5,8,10,12-14,16,22,24H,4,6-7,9H2,1H3/t12-,13+,14+,16?,18+,19+,20+/m0/s1
InChIKey: InChIKey=HUDAGYVLIAAISI-QULJFFSPSA-N
Formula: C20H22O7
Molecular Weight: 374.385249
Exact Mass: 374.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nieto, M., Gallardo, O., Rossomando, P.C., Tonn, C.E. J Nat Prod (1996) 59, 880-2
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 |
| 2 (CH) | 128.6 |
| 3 (CH) | 120.9 |
| 4 (CH) | 51.9 |
| 5 (C) | 40.9 |
| 6 (CH2) | 33.1 |
| 7 (CH2) | 27.2 |
| 8 (C) | 75.3 |
| 9 (C) | 39.2 |
| 10 (CH) | 37.9 |
| 11 (CH2) | 33.9 |
| 12 (CH) | 71.1 |
| 13 (C) | 124.4 |
| 14 (CH) | 108.5 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.9 |
| 17 (C) | 172.3 |
| 18 (C) | 175.6 |
| 19 (CH) | 70.1 |
| 20 (CH3) | 17.2 |
