Spektraris NMR
1a,7b-Dihydroxyisosteviol methyl ester
Common Name: 1a,7b-Dihydroxyisosteviol methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-18-7-5-12-20(3)13(9-15(23)21(12,11-18)10-16(18)24)19(2,17(25)26-4)8-6-14(20)22/h12-15,22-23H,5-11H2,1-4H3/t12-,13+,14-,15-,18-,19+,20-,21+/m0/s1
InChIKey: InChIKey=PZXNFAYKRGBUGW-MPUPTJIHSA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
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 (CH) | 81 |
| 2 (CH2) | 29.1 |
| 3 (CH2) | 35.7 |
| 4 (C) | 44.3 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 30.1 |
| 7 (CH) | 76.2 |
| 8 (C) | 48.7 |
| 9 (CH) | 45.7 |
| 10 (C) | 43.7 |
| 11 (CH2) | 23.2 |
| 12 (CH2) | 37.6 |
| 13 (C) | 42.9 |
| 14 (CH2) | 50.2 |
| 15 (CH2) | 47.4 |
| 16 (C) | 221.7 |
| 17 (CH3) | 19.8 |
| 18 (CH3) | 28.4 |
| 19 (C) | 177.8 |
| 20 (CH3) | 8.4 |
| 19a (CH3) | 51.6 |
