Spektraris NMR
(2S)-2,5,7-Trimethyl-2-(hydroxymethyl)-6-(2-hydroxyethyl)-2,3-dihydro-1H-indene-4-ol
Common Name: (2S)-2,5,7-Trimethyl-2-(hydroxymethyl)-6-(2-hydroxyethyl)-2,3-dihydro-1H-indene-4-ol
Synonyms: (2S)-2,5,7-Trimethyl-2-(hydroxymethyl)-6-(2-hydroxyethyl)-2,3-dihydro-1H-indene-4-ol
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9-11(4-5-16)10(2)14(18)13-7-15(3,8-17)6-12(9)13/h16-18H,4-8H2,1-3H3/t15-/m0/s1
InChIKey: InChIKey=FCSXZAGMYKCEHI-HNNXBMFYSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, Y., Yang, S.P., Yue, J.M., Chow, S., Kitching, W. Helv Chim Acta (2003) 86, 2424-33
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Illudalanes; 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) | 43.8 |
| 2 (C) | 141.6 |
| 3 (C) | 125.2 |
| 4 (CH2) | 62.5 |
| 5 (CH2) | 34.5 |
| 6 (C) | 135.2 |
| 7 (C) | 122.9 |
| 8 (C) | 150.5 |
| 9 (C) | 127.4 |
| 10 (CH2) | 41.1 |
| 11 (C) | 45.7 |
| 12 (CH2) | 71.2 |
| 13 (CH3) | 25.4 |
| 14 (CH3) | 12.4 |
| 15 (CH3) | 16.1 |
