Spektraris NMR
Ophiopogonoside A
Common Name: Ophiopogonoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H38O8/c1-10(2)11-5-7-20(3)13(23)6-8-21(4,27)18(20)17(11)29-19-16(26)15(25)14(24)12(9-22)28-19/h10-19,22-27H,5-9H2,1-4H3/t11-,12+,13+,14+,15-,16+,17+,18-,19-,20-,21-/m0/s1
InChIKey: InChIKey=DQRUOTCFENUXKV-YQVANZONSA-N
Formula: C21H38O8
Molecular Weight: 418.522442
Exact Mass: 418.256668
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Cheng, Z.H., Wu, T., Bligh, S.W., Bashall, A., Yu, B.Y. J Nat Prod (2004) 67, 1761-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 74.8 |
| 2 (CH2) | 27.9 |
| 3 (CH2) | 37.5 |
| 4 (C) | 71.5 |
| 5 (CH) | 52.6 |
| 6 (CH) | 77.4 |
| 7 (CH) | 45.9 |
| 8 (CH2) | 21.4 |
| 9 (CH2) | 33.6 |
| 10 (C) | 38.2 |
| 11 (CH) | 28.1 |
| 12 (CH3) | 20.9 |
| 13 (CH3) | 21.8 |
| 14 (CH3) | 25.4 |
| 15 (CH3) | 28.5 |
| 1' (CH) | 106.6 |
| 2' (CH) | 75.7 |
| 3' (CH) | 77.7 |
| 4' (CH) | 72.4 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63.4 |
