Spektraris NMR
11a-Hydroxyisosteviol
Common Name: 11a-Hydroxyisosteviol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-17-9-12(21)15-18(2)6-4-7-19(3,16(23)24)13(18)5-8-20(15,11-17)10-14(17)22/h12-13,15,21H,4-11H2,1-3H3,(H,23,24)/t12-,13-,15-,17-,18+,19+,20-/m0/s1
InChIKey: InChIKey=SJSXVMKVEKHZPQ-RBLOAEQXSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Hamasaki, Y., Tokuda, H., Ukiya, M., Kimura, Y., Nishino, H. J Nat Prod (2004) 67, 407-10
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) | 42.7 |
| 2 (CH2) | 20.1 |
| 3 (CH2) | 38.8 |
| 4 (C) | 44.4 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 22.4 |
| 7 (CH2) | 43.2 |
| 8 (C) | 40.5 |
| 9 (CH) | 60.3 |
| 10 (C) | 40.3 |
| 11 (CH) | 67.8 |
| 12 (CH2) | 49.1 |
| 13 (C) | 49.3 |
| 14 (CH2) | 54 |
| 15 (CH2) | 49.2 |
| 16 (C) | 219.5 |
| 17 (CH3) | 19.7 |
| 18 (CH3) | 29.9 |
| 19 (C) | 180.4 |
| 20 (CH3) | 14.3 |
