Spektraris NMR
7b-Hydroxyisosteviol methyl ester
Common Name: 7b-Hydroxyisosteviol methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O4/c1-18-9-6-13-19(2)7-5-8-20(3,17(24)25-4)14(19)10-15(22)21(13,12-18)11-16(18)23/h13-15,22H,5-12H2,1-4H3/t13-,14-,15-,18-,19-,20+,21+/m0/s1
InChIKey: InChIKey=IFUBHXRPRHQDBV-HDZPWSGWSA-N
Formula: C21H32O4
Molecular Weight: 348.477178
Exact Mass: 348.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Oliveira, B.H., dos Santos, M.C., Leal, P.C. Phytochemistry (1999) 51, 737-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 39.4 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 37.2 |
| 4 (C) | 43.6 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 29.3 |
| 7 (CH) | 76.1 |
| 8 (C) | 48.5 |
| 9 (CH) | 47.3 |
| 10 (C) | 37.7 |
| 11 (CH2) | 19.8 |
| 12 (CH2) | 37.7 |
| 13 (C) | 43.2 |
| 14 (CH2) | 49.8 |
| 15 (CH2) | 47.1 |
| 16 (C) | 221.7 |
| 17 (CH3) | 19.8 |
| 18 (CH3) | 28.5 |
| 19 (C) | 178.1 |
| 20 (CH3) | 12.8 |
| 19a (CH3) | 51.3 |
