Spektraris NMR
Officinosides A
Common Name: Officinosides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H32O8/c1-9(21)11-5-13-18(2,3)6-10(7-19(13,4)27-11)25-17-16(24)15(23)14(22)12(8-20)26-17/h5,9-12,14-17,20-24H,6-8H2,1-4H3/t9-,10+,11+,12-,14-,15+,16-,17-,19-/m1/s1
InChIKey: InChIKey=PIVPPCDKFVJHEG-JKBKDFLTSA-N
Formula: C19H32O8
Molecular Weight: 388.453326
Exact Mass: 388.209718
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Marukami, T., Kishi, A., Yoshikawa, M. Chem Pharm Bull (2001) 49, 974-8
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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) | 34 |
| 2 (CH2) | 45.8 |
| 3 (CH) | 73.8 |
| 4 (CH2) | 44.2 |
| 5 (C) | 87.3 |
| 6 (C) | 154.6 |
| 7 (CH) | 119 |
| 8 (CH) | 87.6 |
| 9 (CH) | 70.7 |
| 10 (CH3) | 20 |
| 11 (CH3) | 31.4 |
| 12 (CH3) | 28.8 |
| 13 (CH3) | 29.2 |
| 1' (CH) | 102.6 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63 |
