Spektraris NMR
(1R)-1alpha,3aalpha,4alpha,7aalpha-Tetramethyl-2,3,3a,4,7,7a-hexahydro-1H-indene-5-ethanol
Common Name: (1R)-1alpha,3aalpha,4alpha,7aalpha-Tetramethyl-2,3,3a,4,7,7a-hexahydro-1H-indene-5-ethanol
Synonyms: (1R)-1alpha,3aalpha,4alpha,7aalpha-Tetramethyl-2,3,3a,4,7,7a-hexahydro-1H-indene-5-ethanol
CAS Registry Number:
InChI: InChI=1S/C15H26O/c1-11-5-8-15(4)12(2)13(7-10-16)6-9-14(11,15)3/h6,11-12,16H,5,7-10H2,1-4H3/t11-,12-,14+,15+/m1/s1
InChIKey: InChIKey=NOCIFLGYYDFRLP-UXOAXIEHSA-N
Formula: C15H26O1
Molecular Weight: 222.366903
Exact Mass: 222.198365
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bungert, M., Gabler, J., Adam, K.P., Zapp, J., Becker, H. Phytochemistry (1998) 49, 1079-83
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Pinguisanes; 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) | 38 |
| 2 (CH2) | 38.6 |
| 3 (CH2) | 34.8 |
| 4 (CH) | 36.9 |
| 5 (C) | 134.8 |
| 6 (CH) | 122.6 |
| 7 (CH2) | 32.3 |
| 8 (C) | 44.1 |
| 9 (C) | 46.4 |
| 10 (CH2) | 29.2 |
| 11 (CH2) | 60.5 |
| 12 (CH3) | 18.9 |
| 13 (CH3) | 14.6 |
| 14 (CH3) | 15.9 |
| 15 (CH3) | 13.7 |
