Spektraris NMR
(+) 5(9), 6-Tricyclohumulan-4a,8a,10a-triol 8-acetate
Common Name: (+) 5(9), 6-Tricyclohumulan-4a,8a,10a-triol 8-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O4/c1-9(18)21-14-12-10(15(12,2)3)11-13(14)17(5,20)8-6-7-16(11,4)19/h10-14,19-20H,6-8H2,1-5H3/t10-,11-,12-,13-,14+,16+,17-/m0/s1
InChIKey: InChIKey=GMVSBFBQBSROPT-ABXIZENJSA-N
Formula: C17H28O4
Molecular Weight: 296.402471
Exact Mass: 296.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maatooq, G.T. Phytochemistry (2002) 59, 39-44
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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) | 36.9 |
| 2 (CH2) | 25.4 |
| 3 (CH2) | 45.4 |
| 4 (C) | 72.6 |
| 5 (CH) | 47.9 |
| 6 (CH) | 32.6 |
| 7 (CH) | 27.9 |
| 8 (CH) | 69.3 |
| 9 (CH) | 51.7 |
| 10 (C) | 81.7 |
| 11 (C) | 22.8 |
| 12 (CH3) | 31.8 |
| 13 (CH3) | 15.1 |
| 14 (CH3) | 19.5 |
| 15 (CH3) | 24.7 |
| 8a (C) | 170.9 |
| 8b (CH3) | 21.5 |
