Spektraris NMR
3β-Epoxythujopsa-5β-ol
Common Name: 3β-Epoxythujopsa-5β-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-12(2)6-5-7-13(3)10(16)11-14(4,17-11)9-8-15(9,12)13/h9-11,16H,5-8H2,1-4H3/t9-,10-,11+,13-,14-,15-/m0/s1
InChIKey: InChIKey=HLCSLDGZDJOUEF-ZFMHXWJXSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sakamaki, H., Kitanaka, S., Chai, W., Hayashida, Y., Takagi, Y., Horiuchi, C.A. J Nat Prod (2001) 64, 630-1
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Thujopsanes; 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) | 9.3 |
| 2 (CH) | 30.3 |
| 3 (C) | 67.9 |
| 4 (CH) | 60.5 |
| 5 (CH) | 67.9 |
| 6 (C) | 34.6 |
| 7 (C) | 31.7 |
| 8 (CH2) | 36.7 |
| 9 (CH2) | 17.9 |
| 10 (CH2) | 40.4 |
| 11 (C) | 33.7 |
| 12 (CH3) | 28.4 |
| 13 (CH3) | 27.8 |
| 14 (CH3) | 24.7 |
| 15 (CH3) | 27.4 |
